3VP4
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![BU of 3vp4 by Molmil](/molmil-images/mine/3vp4) | Crystal structure of human glutaminase in complex with inhibitor 4 | Descriptor: | 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial | Authors: | Thangavelu, K, Sivaraman, J. | Deposit date: | 2012-02-23 | Release date: | 2012-06-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism. Proc.Natl.Acad.Sci.USA, 109, 2012
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4XG7
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![BU of 4xg7 by Molmil](/molmil-images/mine/4xg7) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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3W26
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![BU of 3w26 by Molmil](/molmil-images/mine/3w26) | The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E146A mutant with xylotriose | Descriptor: | Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | Deposit date: | 2012-11-27 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Proteins, 81, 2013
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5BPA
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![BU of 5bpa by Molmil](/molmil-images/mine/5bpa) | |
4XG6
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![BU of 4xg6 by Molmil](/molmil-images/mine/4xg6) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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3VQS
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![BU of 3vqs by Molmil](/molmil-images/mine/3vqs) | Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor | Descriptor: | (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide, CHLORIDE ION, RNA-directed RNA polymerase | Authors: | Adachi, T, Doi, S, Ando, I, Sugimoto, K, Orita, T, Nomura, A, Kamada, M. | Deposit date: | 2012-03-30 | Release date: | 2012-08-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase. Antimicrob.Agents Chemother., 56, 2012
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2MAT
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![BU of 2mat by Molmil](/molmil-images/mine/2mat) | E.COLI METHIONINE AMINOPEPTIDASE AT 1.9 ANGSTROM RESOLUTION | Descriptor: | COBALT (II) ION, PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION | Authors: | Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W. | Deposit date: | 1999-03-29 | Release date: | 1999-06-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis. Biochemistry, 38, 1999
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4XLI
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![BU of 4xli by Molmil](/molmil-images/mine/4xli) | Crystal structure of Abl2/Arg kinase in complex with dasatinib | Descriptor: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Non-specific protein-tyrosine kinase, ZINC ION | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2015-01-13 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the ABL2/ARG kinase in complex with dasatinib. Acta Crystallogr.,Sect.F, 71, 2015
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5BNQ
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![BU of 5bnq by Molmil](/molmil-images/mine/5bnq) | Crystal structure of hRANKL-mRANK complex | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SODIUM ION, ... | Authors: | Ren, J. | Deposit date: | 2015-05-26 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A RANKL mutant used as an inter-species vaccine for efficient immunotherapy of osteoporosis. Sci Rep, 5, 2015
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4XRY
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![BU of 4xry by Molmil](/molmil-images/mine/4xry) | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | Descriptor: | (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1-methyl-1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Fan, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-05-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
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3W24
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![BU of 3w24 by Molmil](/molmil-images/mine/3w24) | The high-resolution crystal structure of TsXylA, intracellular xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485 | Descriptor: | Glycoside hydrolase family 10 | Authors: | Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T. | Deposit date: | 2012-11-27 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485 Proteins, 81, 2013
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4Y0D
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![BU of 4y0d by Molmil](/molmil-images/mine/4y0d) | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | Descriptor: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | Deposit date: | 2015-02-05 | Release date: | 2015-02-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) J. Am. Chem. Soc., 2015
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4XG4
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![BU of 4xg4 by Molmil](/molmil-images/mine/4xg4) | Crystal structure of an inhibitor-bound Syk | Descriptor: | (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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4Y2Q
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![BU of 4y2q by Molmil](/molmil-images/mine/4y2q) | |
5ANV
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![BU of 5anv by Molmil](/molmil-images/mine/5anv) | MTH1 in complex with compound 15 | Descriptor: | 4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2015-09-08 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival. J.Med.Chem., 59, 2016
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5AUV
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![BU of 5auv by Molmil](/molmil-images/mine/5auv) | Crystal structure of DAPK1 in complex with apigenin. | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, CHLORIDE ION, Death-associated protein kinase 1 | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-06-10 | Release date: | 2015-10-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids. J.Med.Chem., 58, 2015
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5AV3
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![BU of 5av3 by Molmil](/molmil-images/mine/5av3) | |
3W6Q
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![BU of 3w6q by Molmil](/molmil-images/mine/3w6q) | Crystal structure of melB apo-protyrosinase from Asperugillus oryzae | Descriptor: | tyrosinase | Authors: | Fujieda, N, Yabuta, S, Ikeda, T, Oyama, T, Muraki, N, Kurisu, G, Itoh, S. | Deposit date: | 2013-02-20 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Crystal structures of copper-depleted and copper-bound fungal pro-tyrosinase: insights into endogenous cysteine-dependent copper incorporation. J.Biol.Chem., 288, 2013
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2M41
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![BU of 2m41 by Molmil](/molmil-images/mine/2m41) | |
4XG9
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![BU of 4xg9 by Molmil](/molmil-images/mine/4xg9) | Crystal structure of an inhibitor-bound Syk | Descriptor: | 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | Authors: | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | Deposit date: | 2014-12-30 | Release date: | 2015-12-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs Febs J., 283, 2016
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5APK
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![BU of 5apk by Molmil](/molmil-images/mine/5apk) | Ligand complex of RORg LBD | Descriptor: | 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, NUCLEAR RECEPTOR ROR-GAMMA | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2015-09-16 | Release date: | 2015-11-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma. ChemMedChem, 11, 2016
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7V8Y
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![BU of 7v8y by Molmil](/molmil-images/mine/7v8y) | Crystal structure of mouse CRY2 in complex with SHP1703 compound | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | Authors: | Miller, S.A, Hirota, T. | Deposit date: | 2021-08-23 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy. Proc.Natl.Acad.Sci.USA, 119, 2022
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7V8Z
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![BU of 7v8z by Molmil](/molmil-images/mine/7v8z) | Crystal structure of mouse CRY2 in complex with SHP656 compound | Descriptor: | 1-[(2R)-3-[3,6-bis(fluoranyl)carbazol-9-yl]-2-oxidanyl-propyl]imidazolidin-2-one, Cryptochrome-2 | Authors: | Miller, S.A, Hirota, T. | Deposit date: | 2021-08-23 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | CRY2 isoform selectivity of a circadian clock modulator with antiglioblastoma efficacy. Proc.Natl.Acad.Sci.USA, 119, 2022
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5B5J
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![BU of 5b5j by Molmil](/molmil-images/mine/5b5j) | Hen egg white lysozyme with boron tracedrug UTX-97 | Descriptor: | 2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide, Lysozyme C, SODIUM ION | Authors: | Morimoto, Y. | Deposit date: | 2016-05-11 | Release date: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structural Insight Into Protein Binding of Boron Tracedrug UTX-97 Revealed by the Co-Crystal Structure With Lysozyme at 1.26 angstrom Resolution. J Pharm Sci, 105, 2016
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4Y2R
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![BU of 4y2r by Molmil](/molmil-images/mine/4y2r) | |