6BRF
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![BU of 6brf by Molmil](/molmil-images/mine/6brf) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-30 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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8DPV
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8DPS
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![BU of 8dps by Molmil](/molmil-images/mine/8dps) | The structure of the interleukin 11 signalling complex, truncated gp130 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | Authors: | Metcalfe, R.D, Hanssen, E, Griffin, M.D.W. | Deposit date: | 2022-07-17 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant. Nat Commun, 14, 2023
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8DPW
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![BU of 8dpw by Molmil](/molmil-images/mine/8dpw) | The structure of Interleukin-11 Mutein | Descriptor: | Interleukin-11, SULFATE ION | Authors: | Metcalfe, R.D, Griffin, M.D.W. | Deposit date: | 2022-07-17 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant. Nat Commun, 14, 2023
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2Q3F
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![BU of 2q3f by Molmil](/molmil-images/mine/2q3f) | X-ray crystal structure of putative human Ras-related GTP binding D in complex with GMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related GTP-binding protein D | Authors: | Mulichak, A.M, Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Keefe, L.J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2007-05-30 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human Ras-related GTP-binding D. To be published
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5HZQ
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![BU of 5hzq by Molmil](/molmil-images/mine/5hzq) | Crystal structure of cellular retinoic acid binding protein 2 (CRABP2)-aryl fluorosulfate covalent conjugate | Descriptor: | 4'-[(3,6,9,12-tetraoxapentadec-14-yn-1-yl)oxy][1,1'-biphenyl]-4-yl sulfurofluoridate, Cellular retinoic acid-binding protein 2, GLYCEROL | Authors: | Chen, W, Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2016-02-02 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Arylfluorosulfates Inactivate Intracellular Lipid Binding Protein(s) through Chemoselective SuFEx Reaction with a Binding Site Tyr Residue. J.Am.Chem.Soc., 138, 2016
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4YCA
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![BU of 4yca by Molmil](/molmil-images/mine/4yca) | Evidence of Kinetic Cooperativity in dimeric Ketopantoate Reductase from Staphylococcus aureus | Descriptor: | 2-dehydropantoate 2-reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Sanchez, J.E, Gross, P.G, Goetze, R, Walsh Jr, R.M, Peeples, W.B, Wood, Z.A. | Deposit date: | 2015-02-19 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Evidence of Kinetic Cooperativity in Dimeric Ketopantoate Reductase from Staphylococcus aureus. Biochemistry, 54, 2015
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8ENA
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![BU of 8ena by Molmil](/molmil-images/mine/8ena) | Thaumatin native-SAD structure determined at 5 keV with a helium environmet | Descriptor: | Thaumatin-1 | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | Deposit date: | 2022-09-29 | Release date: | 2022-11-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment. Iucrj, 9, 2022
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4C3X
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![BU of 4c3x by Molmil](/molmil-images/mine/4c3x) | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 | Descriptor: | 3-KETOSTEROID DEHYDROGENASE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rohman, A, van Oosterwijk, N, Thunnissen, A.M.W.H, Dijkstra, B.W. | Deposit date: | 2013-08-28 | Release date: | 2013-11-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Site-Directed Mutagenesis of 3-Ketosteroid Delta1-Dehydrogenase from Rhodococcus Erythropolis Sq1 Explain its Catalytic Mechanism J.Biol.Chem., 288, 2013
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8EN9
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![BU of 8en9 by Molmil](/molmil-images/mine/8en9) | TehA native-SAD structure determined at 5 keV with a helium environment | Descriptor: | CHLORIDE ION, SODIUM ION, Tellurite resistance protein TehA homolog, ... | Authors: | Karasawa, A, Andi, B, Ruchs, M.R, Shi, W, McSweeney, S, Hendrickson, W.A, Liu, Q. | Deposit date: | 2022-09-29 | Release date: | 2022-11-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Multi-crystal native-SAD phasing at 5 keV with a helium environment. Iucrj, 9, 2022
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3BMO
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![BU of 3bmo by Molmil](/molmil-images/mine/3bmo) | Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-[(4-methylphenyl)sulfanyl]pyrimidine-2,4-diamine, ... | Authors: | Martini, V.P, Iulek, J, Hunter, W.N, Tulloch, L.B. | Deposit date: | 2007-12-13 | Release date: | 2008-12-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem., 53, 2010
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6BS2
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![BU of 6bs2 by Molmil](/molmil-images/mine/6bs2) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
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5WVA
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6AGQ
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![BU of 6agq by Molmil](/molmil-images/mine/6agq) | Acetyl xylan esterase from Paenibacillus sp. R4 | Descriptor: | ZINC ION, acetyl xylan esterase | Authors: | Park, S, Lee, C.W, Lee, J.H. | Deposit date: | 2018-08-13 | Release date: | 2018-10-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and functional characterization of a cold-active acetyl xylan esterase (PbAcE) from psychrophilic soil microbe Paenibacillus sp. PLoS ONE, 13, 2018
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8ILV
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![BU of 8ilv by Molmil](/molmil-images/mine/8ilv) | Cryo-EM structure of PI3Kalpha in complex with compound 18 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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2CGA
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6HFY
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![BU of 6hfy by Molmil](/molmil-images/mine/6hfy) | Influenza A virus N6 neuraminidase complex with DANA (Duck/England/56). | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-22 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. (In preparation) To Be Published
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5YWZ
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![BU of 5ywz by Molmil](/molmil-images/mine/5ywz) | AID-SUN tandem of SUN1 | Descriptor: | SUN domain-containing protein 1 | Authors: | Xu, Y, Li, W, Feng, W. | Deposit date: | 2017-11-30 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural conservation of the autoinhibitory domain in SUN proteins Biochem. Biophys. Res. Commun., 496, 2018
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8IOD
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![BU of 8iod by Molmil](/molmil-images/mine/8iod) | Cryo-EM structure of the PG-901-bound human melanocortin receptor 5 (MC5R)-Gs complex | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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8INR
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![BU of 8inr by Molmil](/molmil-images/mine/8inr) | Cryo-EM structure of the alpha-MSH-bound human melanocortin receptor 5 (MC5R)-Gs complex | Descriptor: | CALCIUM ION, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,HiBiT, ... | Authors: | Feng, W.B, Zhou, Q.T, Chen, X.Y, Dai, A.T, Cai, X.Q, Liu, X, Zhao, F.H, Chen, Y, Ye, C.Y, Xu, Y.N, Cong, Z.T, Li, H, Lin, S, Yang, D.H, Wang, M.W. | Deposit date: | 2023-03-10 | Release date: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.73 Å) | Cite: | Structural insights into ligand recognition and subtype selectivity of the human melanocortin-3 and melanocortin-5 receptors. Cell Discov, 9, 2023
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4YJY
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6HG5
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![BU of 6hg5 by Molmil](/molmil-images/mine/6hg5) | Influenza A virus N6 neuraminidase complex with Oseltamivir (Duck/England/56). | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Salinger, M.T, Hobbs, J.R, Murray, J.W, Laver, W.G, Kuhn, P, Garman, E.F. | Deposit date: | 2018-08-22 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High Resolution Structures of Viral Neuraminidase with Drugs Bound in the Active Site. To Be Published
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6WLL
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![BU of 6wll by Molmil](/molmil-images/mine/6wll) | Apo F. nucleatum glycine riboswitch models, 10.0 Angstrom resolution | Descriptor: | RNA (171-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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8ILS
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![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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6WLJ
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![BU of 6wlj by Molmil](/molmil-images/mine/6wlj) | ATP-TTR-3 with AMP models, 9.6 Angstrom resolution | Descriptor: | RNA (130-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (9.6 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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