3RXK
| Crystal structure of Trypsin complexed with methyl 4-amino-1-methyl-pyrrolidine-2-carboxylate | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXV
| Crystal structure of Trypsin complexed with benzamide (F05 and F03, cocktail experiment) | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXE
| Crystal structure of Trypsin complexed with benzamide | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXR
| Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment) | Descriptor: | CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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3RXS
| Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | Deposit date: | 2011-05-10 | Release date: | 2011-08-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities J.Appl.Crystallogr., 44, 2011
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8C9M
| HERV-K Gag immature lattice | Descriptor: | Gag protein | Authors: | Krebs, A.-S, Liu, H.-F, Zhou, Y, Rey, J.S, Levintov, L, Perilla, J.R, Bartesaghi, A, Zhang, P. | Deposit date: | 2023-01-23 | Release date: | 2023-02-01 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular architecture and conservation of an immature human endogenous retrovirus. Biorxiv, 2023
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5JBM
| Crystal structgure of Cac1 C-terminus | Descriptor: | Chromatin assembly factor 1 subunit p90 | Authors: | Churchill, M.E.A, Liu, W, Zhou, Y. | Deposit date: | 2016-04-13 | Release date: | 2016-10-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Cac1 subunit of histone chaperone CAF-1 organizes CAF-1-H3/H4 architecture and tetramerizes histones. Elife, 5, 2016
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3BV9
| Structure of Thrombin Bound to the Inhibitor FM19 | Descriptor: | FM19 inhibitor, GLYCEROL, IODIDE ION, ... | Authors: | Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H. | Deposit date: | 2008-01-05 | Release date: | 2008-03-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo. J.Thromb.Haemost., 6, 2008
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2J6P
| STRUCTURE OF AS-SB REDUCTASE FROM LEISHMANIA MAJOR | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SB(V)-AS(V) REDUCTASE, ... | Authors: | Bisacchi, D, Zhou, Y, Rosen, B.P, Mukhopadhyay, R, Bordo, D. | Deposit date: | 2006-10-02 | Release date: | 2007-10-02 | Last modified: | 2018-12-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural characterization of the As/Sb reductase LmACR2 from Leishmania major. J. Mol. Biol., 386, 2009
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2JXH
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2JXG
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2JXI
| Solution structure of the DNA-binding domain of Pseudomonas putida Proline utilization A (putA) bound to GTTGCA DNA sequence | Descriptor: | DNA (5'-D(*DAP*DAP*DAP*DGP*DGP*DTP*DGP*DCP*DAP*DAP*DCP*DCP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DCP*DTP*DTP*DT)-3'), Proline dehydrogenase | Authors: | Halouska, S, Zhou, Y, Becker, D, Powers, R. | Deposit date: | 2007-11-19 | Release date: | 2008-10-21 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the Pseudomonas putida protein PpPutA45 and its DNA complex Proteins, 75, 2008
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8JBP
| Crystal structure of triosephosphate isomerase from Leishmania orientalis at 1.45 angstroms resolution with an arsenic atom bound at Cys57 | Descriptor: | ARSENIC, Triosephosphate isomerase | Authors: | Kuaprasert, B, Leartsakulpanich, U, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Robinson, R.C, Zhou, Y, Mungthin, M, Leelayoova, S, Saehlee, S, Choowongkomon, K. | Deposit date: | 2023-05-09 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Leishmania orientalis triosephosphate isomerase crystal structure at 1.45 angstroms resolution and its potential specific inhibitors To be published
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6LUK
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6LUJ
| Crystal structure of the SAMD1 SAM domain | Descriptor: | Atherin, SULFATE ION | Authors: | Cao, Y, Zhou, Y, Wang, Z. | Deposit date: | 2020-01-29 | Release date: | 2021-02-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | The SAM domain-containing protein 1 (SAMD1) acts as a repressive chromatin regulator at unmethylated CpG islands. Sci Adv, 7, 2021
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7CZ5
| Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex | Descriptor: | CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2020-09-07 | Release date: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis for activation of the growth hormone-releasing hormone receptor. Nat Commun, 11, 2020
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7D68
| Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex | Descriptor: | Glucagon-like peptide 2 receptor, 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, ... | Authors: | Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M. | Deposit date: | 2020-09-29 | Release date: | 2020-12-16 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor. Cell Res., 30, 2020
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4M3Q
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1917 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein kinase Mer, ... | Authors: | Zhang, W, Zhang, D, Stashko, M.A, DeRyckere, D, Hunter, D, Kireev, D.B, Miley, M, Cummings, C, Lee, M, Norris-Drouin, J, Stewart, W.M, Sather, S, Zhou, Y, Kirkpatrick, G, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-06 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.718 Å) | Cite: | Pseudo-Cyclization through Intramolecular Hydrogen Bond Enables Discovery of Pyridine Substituted Pyrimidines as New Mer Kinase Inhibitors. J.Med.Chem., 56, 2013
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4MH7
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide, ... | Authors: | Zhang, W, McIver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, M.J, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, DiPaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis. J.Med.Chem., 56, 2013
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4MHA
| Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817 | Descriptor: | 2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, W, Mciver, A, Stashko, M.A, Deryckere, D, Branchford, B.R, Hunter, D, Kireev, D.B, Miley, D.B.M, Norris-Drouin, J, Stewart, W.M, Lee, M, Sather, S, Zhou, Y, Dipaola, J.A, Machius, M, Janzen, W.P, Earp, H.S, Graham, D.K, Frye, S, Wang, X. | Deposit date: | 2013-08-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis. J.Med.Chem., 56, 2013
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3O0J
| PDE4B In complex with ligand an2898 | Descriptor: | 1,2-ETHANEDIOL, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile, MAGNESIUM ION, ... | Authors: | Alley, M.R.K, Zhou, Y. | Deposit date: | 2010-07-19 | Release date: | 2011-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. Febs Lett., 586, 2012
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6L15
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L12
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L16
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-05-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6L17
| Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | Descriptor: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | Deposit date: | 2019-09-27 | Release date: | 2020-09-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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