2J95
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![BU of 2j95 by Molmil](/molmil-images/mine/2j95) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | Deposit date: | 2006-11-02 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides. J.Med.Chem., 50, 2007
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5I5X
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![BU of 5i5x by Molmil](/molmil-images/mine/5i5x) | X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... | Authors: | Somers, D.O. | Deposit date: | 2016-02-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5W
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![BU of 5i5w by Molmil](/molmil-images/mine/5i5w) | |
8OLU
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![BU of 8olu by Molmil](/molmil-images/mine/8olu) | |
6NPE
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![BU of 6npe by Molmil](/molmil-images/mine/6npe) | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | Authors: | campobasso, N. | Deposit date: | 2019-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62, 2019
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6NPV
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![BU of 6npv by Molmil](/molmil-images/mine/6npv) | |
6NPU
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![BU of 6npu by Molmil](/molmil-images/mine/6npu) | |
6QH9
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![BU of 6qh9 by Molmil](/molmil-images/mine/6qh9) | Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A | Descriptor: | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, GLYCEROL, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-06 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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6QHB
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![BU of 6qhb by Molmil](/molmil-images/mine/6qhb) | Crystal Structure of Human Kallikrein 6 in complex with GSK578724A | Descriptor: | GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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6QHA
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![BU of 6qha by Molmil](/molmil-images/mine/6qha) | Crystal Structure of Human Kallikrein 6 in complex with GSK3205388B | Descriptor: | GLYCEROL, Kallikrein-6, UNKNOWN ATOM OR ION, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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6QHC
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![BU of 6qhc by Molmil](/molmil-images/mine/6qhc) | Crystal Structure of Human Kallikrein 6 in complex with GSK358180B | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Kallikrein-6, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome. Bioorg. Med. Chem. Lett., 29, 2019
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5BWU
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![BU of 5bwu by Molmil](/molmil-images/mine/5bwu) | X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2015-06-08 | Release date: | 2015-07-01 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J.Med.Chem., 58, 2015
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5BWW
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![BU of 5bww by Molmil](/molmil-images/mine/5bww) | |
5BWV
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![BU of 5bwv by Molmil](/molmil-images/mine/5bwv) | |
5BWT
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![BU of 5bwt by Molmil](/molmil-images/mine/5bwt) | |
5BWX
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![BU of 5bwx by Molmil](/molmil-images/mine/5bwx) | |
5BWR
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![BU of 5bwr by Molmil](/molmil-images/mine/5bwr) | |
2Y7Q
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![BU of 2y7q by Molmil](/molmil-images/mine/2y7q) | THE HIGH-AFFINITY COMPLEX BETWEEN IGE AND ITS RECEPTOR FC EPSILON RI | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIGH AFFINITY IMMUNOGLOBULIN EPSILON RECEPTOR SUBUNIT ALPHA, IG EPSILON CHAIN C REGION, ... | Authors: | Davies, A.M, Holdom, M.D, Nettleship, J.E, Beavil, A.J, Owens, R.J, Sutton, B.J. | Deposit date: | 2011-02-01 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Conformational Changes in Ige Contribute to its Uniquely Slow Dissociation Rate from Receptor Fceri Nat.Struct.Mol.Biol., 18, 2011
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2WQR
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![BU of 2wqr by Molmil](/molmil-images/mine/2wqr) | The high resolution crystal structure of IgE Fc | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, IG EPSILON CHAIN C REGION, ... | Authors: | Dhaliwal, B, Sutton, B.J, Beavil, A.J. | Deposit date: | 2009-08-26 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational Changes in Ige Contribute to its Uniquely Slow Dissociation Rate from Receptor Fceri Nat.Struct.Mol.Biol., 18, 2011
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1B34
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![BU of 1b34 by Molmil](/molmil-images/mine/1b34) | CRYSTAL STRUCTURE OF THE D1D2 SUB-COMPLEX FROM THE HUMAN SNRNP CORE DOMAIN | Descriptor: | PROTEIN (SMALL NUCLEAR RIBONUCLEOPROTEIN SM D1), PROTEIN (SMALL NUCLEAR RIBONUCLEOPROTEIN SM D2) | Authors: | Walke, S, Young, R.J, Kambach, C, Avis, J.M, De La Fortelle, E, Li, J, Nagai, K. | Deposit date: | 1998-12-17 | Release date: | 2000-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of two Sm protein complexes and their implications for the assembly of the spliceosomal snRNPs. Cell(Cambridge,Mass.), 96, 1999
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6T6R
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![BU of 6t6r by Molmil](/molmil-images/mine/6t6r) | Human endoplasmic reticulum aminopeptidase 1 (ERAP1) in complex with (4aR,5S,6R,8S,8aR)-5-(2-(Furan-3-yl)ethyl)-8-hydroxy-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylic acid | Descriptor: | (4~{a}~{R},5~{S},6~{R},8~{S},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-8-oxidanyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid, 1,2-ETHANEDIOL, D-MALATE, ... | Authors: | Rowland, P. | Deposit date: | 2019-10-18 | Release date: | 2020-03-18 | Last modified: | 2020-04-08 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Targeting the Regulatory Site of ER Aminopeptidase 1 Leads to the Discovery of a Natural Product Modulator of Antigen Presentation. J.Med.Chem., 63, 2020
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5I5S
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![BU of 5i5s by Molmil](/molmil-images/mine/5i5s) | |
5I5V
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![BU of 5i5v by Molmil](/molmil-images/mine/5i5v) | X-RAY CRYSTAL STRUCTURE AT 1.94A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIENOPYRIMIDINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | Descriptor: | 1,2-ETHANEDIOL, 3,5-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylic acid, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2016-02-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5T
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![BU of 5i5t by Molmil](/molmil-images/mine/5i5t) | X-RAY CRYSTAL STRUCTURE AT 2.31A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDROQUINOLINE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | Descriptor: | (3R)-3-methyl-1,2,3,4-tetrahydroquinoline-8-sulfonamide, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ... | Authors: | Somers, D.O. | Deposit date: | 2016-02-15 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
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5I5Y
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![BU of 5i5y by Molmil](/molmil-images/mine/5i5y) | |