7B8K
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![BU of 7b8k by Molmil](/molmil-images/mine/7b8k) | Notum-Fragment 173 | Descriptor: | 1,2-ETHANEDIOL, 1~{H}-benzimidazol-2-ylcyanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8J
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![BU of 7b8j by Molmil](/molmil-images/mine/7b8j) | Notum-Fragment 163 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-12 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8Z
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![BU of 7b8z by Molmil](/molmil-images/mine/7b8z) | Notum-Fragment 277 | Descriptor: | 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7PGE
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![BU of 7pge by Molmil](/molmil-images/mine/7pge) | copper transporter PcoB | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Copper resistance protein B, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Li, P, Gourdon, P.E. | Deposit date: | 2021-08-13 | Release date: | 2022-07-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PcoB is a defense outer membrane protein that facilitates cellular uptake of copper. Protein Sci., 31, 2022
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4X5A
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![BU of 4x5a by Molmil](/molmil-images/mine/4x5a) | |
4X5E
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![BU of 4x5e by Molmil](/molmil-images/mine/4x5e) | Anthranilate phosphoribosyltransferase variant R194A from Mycobacterium tuberculosis with pyrophosphate, Mg2+ and anthranilate bound | Descriptor: | 2-AMINOBENZOIC ACID, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | Authors: | Cookson, T.V.M, Evans, G.L, Parker, E.J, Lott, J.S. | Deposit date: | 2014-12-05 | Release date: | 2015-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site. Biochemistry, 54, 2015
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5A5O
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![BU of 5a5o by Molmil](/molmil-images/mine/5a5o) | Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one | Descriptor: | 1,2-ETHANEDIOL, 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2015-06-20 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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5WVX
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![BU of 5wvx by Molmil](/molmil-images/mine/5wvx) | Crystal Structure of bifunctional Kunitz type Trypsin /amylase inhibitor (AMTIN) from the tubers of Alocasia macrorrhiza | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CITRIC ACID, Trypsin/chymotrypsin inhibitor | Authors: | Palayam, M, Radhakrishnan, M, Lakshminarayanan, K, Balu, K.E, Ganapathy, J, Krishnasamy, G. | Deposit date: | 2016-12-29 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.003 Å) | Cite: | Structural insights into a multifunctional inhibitor, 'AMTIN' from tubers of Alocasia macrorrhizos and its possible role in dengue protease (NS2B-NS3) inhibition. Int. J. Biol. Macromol., 113, 2018
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7B8L
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![BU of 7b8l by Molmil](/molmil-images/mine/7b8l) | Notum-Fragment 174 | Descriptor: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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5A83
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![BU of 5a83 by Molmil](/molmil-images/mine/5a83) | Crystal structure of human ATAD2 bromodomain in complex with 4-((3R, 4R)-4-3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydroquinolin-8- yl-aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione | Descriptor: | 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ... | Authors: | Chung, C, Bamborough, P, Demont, E. | Deposit date: | 2015-07-11 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors. J.Med.Chem., 58, 2015
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7B8Y
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![BU of 7b8y by Molmil](/molmil-images/mine/7b8y) | Notum-Fragment 276 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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3KAY
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![BU of 3kay by Molmil](/molmil-images/mine/3kay) | Crystal structure of abscisic acid receptor PYL1 | Descriptor: | Putative uncharacterized protein At5g46790 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-19 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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7B8X
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![BU of 7b8x by Molmil](/molmil-images/mine/7b8x) | Notum-Fragment 210 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ... | Authors: | Zhao, Y, Jonees, E.Y. | Deposit date: | 2020-12-13 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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3KB0
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![BU of 3kb0 by Molmil](/molmil-images/mine/3kb0) | Crystal structure of abscisic acid-bound PYL2 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E. | Deposit date: | 2009-10-19 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors Nature, 462, 2009
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5WCQ
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![BU of 5wcq by Molmil](/molmil-images/mine/5wcq) | Phosphotriesterase variant S2 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... | Authors: | Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. | Deposit date: | 2017-07-01 | Release date: | 2018-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.576 Å) | Cite: | Phosphotriesterase variant S2 To Be Published
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6H6F
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![BU of 6h6f by Molmil](/molmil-images/mine/6h6f) | PTC3 holotoxin complex from Photorhabdus luminiscens - Mutant TcC-D651A | Descriptor: | TcdA1, TcdB2,TccC3,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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1BFV
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![BU of 1bfv by Molmil](/molmil-images/mine/1bfv) | MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI | Descriptor: | ESTRIOL 3-(B-D-GLUCURONIDE), FV4155, ZINC ION | Authors: | Trinh, C.H, Phillips, S.E.V. | Deposit date: | 1997-05-27 | Release date: | 1997-12-03 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antibody fragment Fv4155 bound to two closely related steroid hormones: the structural basis of fine specificity. Structure, 5, 1997
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5WMB
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![BU of 5wmb by Molmil](/molmil-images/mine/5wmb) | Structure of the 10S (-)-cis-BP-dG modified Rev1 ternary complex (the BP residue is disordered) | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rechkoblit, O, Kolbanovsky, A, Landes, H, Geacintov, N.E, Aggarwal, A.K. | Deposit date: | 2017-07-28 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase. Nat Commun, 8, 2017
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6TNQ
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![BU of 6tnq by Molmil](/molmil-images/mine/6tnq) | Crystal structure of the human Arc N-lobe bound to repeat 4 from GKAP | Descriptor: | ACETYL GROUP, Activity-regulated cytoskeleton-associated protein, Chains: B,D,F | Authors: | Hallin, E.I, Bramham, C.R, Kursula, P. | Deposit date: | 2019-12-10 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural properties and peptide ligand binding of the capsid homology domains of human Arc. Biochem Biophys Rep, 26, 2021
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5W7V
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![BU of 5w7v by Molmil](/molmil-images/mine/5w7v) | |
6WPR
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![BU of 6wpr by Molmil](/molmil-images/mine/6wpr) | |
5W8N
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![BU of 5w8n by Molmil](/molmil-images/mine/5w8n) | |
1U3S
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![BU of 1u3s by Molmil](/molmil-images/mine/1u3s) | Crystal Structure of Estrogen Receptor beta complexed with WAY-797 | Descriptor: | 3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL, Estrogen receptor beta, steroid receptor coactivator-1 | Authors: | Malamas, M.S, Manas, E.S, McDevitt, R.E, Gunawan, I, Xu, Z.B, Collini, M.D, Miller, C.P, Dinh, T, Henderson, R.A, Keith Jr, J.C, Harris, H.A. | Deposit date: | 2004-07-22 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J.Med.Chem., 47, 2004
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6WR4
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![BU of 6wr4 by Molmil](/molmil-images/mine/6wr4) | Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery | Descriptor: | Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol | Authors: | Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A. | Deposit date: | 2020-04-29 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery. Cell Rep, 31, 2020
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6QYL
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![BU of 6qyl by Molmil](/molmil-images/mine/6qyl) | Structure of MBP-Mcl-1 in complex with compound 8a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-09 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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