6T1L
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![BU of 6t1l by Molmil](/molmil-images/mine/6t1l) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 3 | Descriptor: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide | Authors: | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6GPJ
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![BU of 6gpj by Molmil](/molmil-images/mine/6gpj) | Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4F-Man | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, GDP-mannose 4,6 dehydratase, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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8T55
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![BU of 8t55 by Molmil](/molmil-images/mine/8t55) | Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654 | Descriptor: | 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-12 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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6GYN
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![BU of 6gyn by Molmil](/molmil-images/mine/6gyn) | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-30 | Release date: | 2019-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel To Be Published
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6GMB
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![BU of 6gmb by Molmil](/molmil-images/mine/6gmb) | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-24 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate To Be Published
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5O2D
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![BU of 5o2d by Molmil](/molmil-images/mine/5o2d) | PARP14 Macrodomain 2 with inhibitor | Descriptor: | Poly [ADP-ribose] polymerase 14, ~{N}-[2-(9~{H}-carbazol-1-yl)phenyl]methanesulfonamide | Authors: | Uth, K, Schuller, M, Sieg, C, Wang, J, Krojer, T, Knapp, S, Riedels, K, Bracher, F, Edwards, A.M, Arrowsmith, C, Bountra, C, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2017-05-20 | Release date: | 2017-11-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of a Selective Allosteric Inhibitor Targeting Macrodomain 2 of Polyadenosine-Diphosphate-Ribose Polymerase 14. ACS Chem. Biol., 12, 2017
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7KXT
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![BU of 7kxt by Molmil](/molmil-images/mine/7kxt) | Crystal structure of human EED | Descriptor: | 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION | Authors: | Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-04 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction. J.Med.Chem., 64, 2021
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8SWJ
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![BU of 8swj by Molmil](/molmil-images/mine/8swj) | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | Descriptor: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 To be published
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6GPK
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![BU of 6gpk by Molmil](/molmil-images/mine/6gpk) | Crystal structure of human GDP-D-mannose 4,6-dehydratase (E157Q) in complex with GDP-Man | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GLYCEROL, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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6GR2
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![BU of 6gr2 by Molmil](/molmil-images/mine/6gr2) | Structure of human galactokinase in complex with galactose and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Galactokinase, SULFATE ION, ... | Authors: | Bezerra, G.A, Mackinnon, S, Williams, E, Zhang, M, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-08 | Release date: | 2019-06-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of human galactokinase in complex with galactose and ADP To Be Published
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6T1I
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![BU of 6t1i by Molmil](/molmil-images/mine/6t1i) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 1 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-ethanoylphenyl)-~{N}-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carboxamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T1O
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![BU of 6t1o by Molmil](/molmil-images/mine/6t1o) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6 | Descriptor: | 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T9N
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![BU of 6t9n by Molmil](/molmil-images/mine/6t9n) | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(4,5)P2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-28 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure, 28, 2020
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6T9O
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![BU of 6t9o by Molmil](/molmil-images/mine/6t9o) | CryoEM structure of human polycystin-2/PKD2 in UDM supplemented with PI(3,5)P2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Wang, Q, Pike, A.C.W, Grieben, M, Baronina, A, Nasrallah, C, Shintre, C, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-28 | Release date: | 2019-11-20 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure, 28, 2020
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6HRH
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![BU of 6hrh by Molmil](/molmil-images/mine/6hrh) | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 | Descriptor: | 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... | Authors: | Bailey, H.J, Shrestha, L, Rembeza, E, Newman, J, Kupinska, K, Diaz-saez, L, Kennedy, E, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-27 | Release date: | 2018-11-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human erythroid-specific 5'-aminolevulinate synthase, ALAS2 To Be Published
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6T1N
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![BU of 6t1n by Molmil](/molmil-images/mine/6t1n) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 5 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6GQD
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![BU of 6gqd by Molmil](/molmil-images/mine/6gqd) | Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L | Descriptor: | 1,2-ETHANEDIOL, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, Galactose-1-phosphate uridylyltransferase, ... | Authors: | Fairhead, M, Strain-Damerell, C, Kopec, J, Bezerra, G.A, Zhang, M, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-07 | Release date: | 2018-07-18 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L To Be Published
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8SHJ
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![BU of 8shj by Molmil](/molmil-images/mine/8shj) | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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6GPL
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![BU of 6gpl by Molmil](/molmil-images/mine/6gpl) | Crystal structure of human GDP-D-mannose 4,6-dehydratase in complex with GDP-4k6d-Man | Descriptor: | 1,2-ETHANEDIOL, BICINE, GDP-mannose 4,6 dehydratase, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-06 | Release date: | 2018-07-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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3UVJ
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![BU of 3uvj by Molmil](/molmil-images/mine/3uvj) | Crystal structure of the catalytic domain of the heterodimeric human soluble guanylate cyclase 1. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Guanylate cyclase soluble subunit alpha-3, ... | Authors: | Allerston, C.K, Berridge, G, Chalk, R, Cooper, C.D.O, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-30 | Release date: | 2011-12-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structures of the catalytic domain of human soluble guanylate cyclase. Plos One, 8, 2013
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6RV4
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![BU of 6rv4 by Molmil](/molmil-images/mine/6rv4) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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6MEW
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![BU of 6mew by Molmil](/molmil-images/mine/6mew) | RFXANK ankyrin repeats in complex with a RFX7 peptide | Descriptor: | DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-07 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | RFXANK ankyrin repeats in complex with a RFX7 peptide to be published
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6I5I
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![BU of 6i5i by Molmil](/molmil-images/mine/6i5i) | Crystal structure of CLK1 in complexed with furo[3,2-b]pyridine compound 12h | Descriptor: | 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]furo[3,2-b]pyridine, Dual specificity protein kinase CLK1 | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-13 | Release date: | 2019-01-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway. Angew. Chem. Int. Ed. Engl., 58, 2019
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6V2H
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![BU of 6v2h by Molmil](/molmil-images/mine/6v2h) | Crystal structure of CDYL2 in complex with H3tK27me3 | Descriptor: | Chromodomain Y-like protein 2, H3tK27me3, NICKEL (II) ION, ... | Authors: | Dong, C, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-22 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6RV2
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![BU of 6rv2 by Molmil](/molmil-images/mine/6rv2) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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