5GHV
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![BU of 5ghv by Molmil](/molmil-images/mine/5ghv) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-({1-[2-({3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]-4-methyl-1H-pyrrol-3-yl}methyl)azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2016-06-20 | 公開日 | 2016-07-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 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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6L4O
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![BU of 6l4o by Molmil](/molmil-images/mine/6l4o) | Crystal structure of API5-FGF2 complex | 分子名称: | Apoptosis inhibitor 5, Fibroblast growth factor 2 | 著者 | Lee, B.I, Bong, S.M. | 登録日 | 2019-10-18 | 公開日 | 2020-04-29 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Regulation of mRNA export through API5 and nuclear FGF2 interaction. Nucleic Acids Res., 48, 2020
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4POW
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![BU of 4pow by Molmil](/molmil-images/mine/4pow) | Structure of the PBP NocT in complex with pyronopaline | 分子名称: | 1,2-ETHANEDIOL, 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline, Nopaline-binding periplasmic protein | 著者 | Morera, S, Vigouroux, A. | 登録日 | 2014-02-26 | 公開日 | 2014-10-22 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Agrobacterium uses a unique ligand-binding mode for trapping opines and acquiring a competitive advantage in the niche construction on plant host. Plos Pathog., 10, 2014
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4XG2
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![BU of 4xg2 by Molmil](/molmil-images/mine/4xg2) | Crystal structure of ligand-free Syk | 分子名称: | Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | 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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4XG8
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![BU of 4xg8 by Molmil](/molmil-images/mine/4xg8) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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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4XG3
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![BU of 4xg3 by Molmil](/molmil-images/mine/4xg3) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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4XG7
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![BU of 4xg7 by Molmil](/molmil-images/mine/4xg7) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 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 | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | 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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4XG6
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![BU of 4xg6 by Molmil](/molmil-images/mine/4xg6) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 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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4XG4
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![BU of 4xg4 by Molmil](/molmil-images/mine/4xg4) | Crystal structure of an inhibitor-bound Syk | 分子名称: | (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 | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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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4XG9
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![BU of 4xg9 by Molmil](/molmil-images/mine/4xg9) | Crystal structure of an inhibitor-bound Syk | 分子名称: | 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 | 著者 | Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I. | 登録日 | 2014-12-30 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | 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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4NP5
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![BU of 4np5 by Molmil](/molmil-images/mine/4np5) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V66A/I92N at cryogenic temperature | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | 著者 | Caro, J.A, Nam, S, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | 登録日 | 2013-11-20 | 公開日 | 2013-12-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Pressure effects in proteins To be Published
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8UK6
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![BU of 8uk6 by Molmil](/molmil-images/mine/8uk6) | |
6OAL
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![BU of 6oal by Molmil](/molmil-images/mine/6oal) | Structure of human PARG complexed with JA2120 | 分子名称: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | 著者 | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | 登録日 | 2019-03-16 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OAK
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![BU of 6oak by Molmil](/molmil-images/mine/6oak) | Structure of human PARG complexed with JA2131 | 分子名称: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | 著者 | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | 登録日 | 2019-03-16 | 公開日 | 2020-03-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6ORR
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![BU of 6orr by Molmil](/molmil-images/mine/6orr) | Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1 | 分子名称: | 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, NNMT protein | 著者 | May, E.J, Policarpo, R.L, Gaudet, R. | 登録日 | 2019-04-30 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT). J.Med.Chem., 62, 2019
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5MO4
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![BU of 5mo4 by Molmil](/molmil-images/mine/5mo4) | |
6OA3
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![BU of 6oa3 by Molmil](/molmil-images/mine/6oa3) | Structure of human PARG complexed with JA2131 | 分子名称: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | 著者 | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | 登録日 | 2019-03-15 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6O9Y
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![BU of 6o9y by Molmil](/molmil-images/mine/6o9y) | Structure of human PARG complexed with JA2-8 | 分子名称: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | 著者 | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | 登録日 | 2019-03-15 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OA0
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![BU of 6oa0 by Molmil](/molmil-images/mine/6oa0) | Structure of human PARG complexed with JA2-9 | 分子名称: | 4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid, Poly(ADP-ribose) glycohydrolase | 著者 | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | 登録日 | 2019-03-15 | 公開日 | 2019-12-25 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6MKM
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![BU of 6mkm by Molmil](/molmil-images/mine/6mkm) | Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1 | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | 著者 | Georgiadis, M.M, He, H, Chen, Q. | 登録日 | 2018-09-25 | 公開日 | 2019-01-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.673 Å) | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1. J. Med. Chem., 62, 2019
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6MK3
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![BU of 6mk3 by Molmil](/molmil-images/mine/6mk3) | Crystallographic solvent mapping analysis of DMSO bound to APE1 | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase | 著者 | Georgiadis, M.M, He, H, Chen, Q. | 登録日 | 2018-09-24 | 公開日 | 2019-01-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.478 Å) | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1. J. Med. Chem., 62, 2019
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6MKO
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![BU of 6mko by Molmil](/molmil-images/mine/6mko) | |
6MKK
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![BU of 6mkk by Molmil](/molmil-images/mine/6mkk) | Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1 | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ... | 著者 | Georgiadis, M.M, He, H, Chen, Q. | 登録日 | 2018-09-25 | 公開日 | 2019-01-30 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.442 Å) | 主引用文献 | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1. J. Med. Chem., 62, 2019
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8TFN
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![BU of 8tfn by Molmil](/molmil-images/mine/8tfn) | Structure of anti-TCRvbeta6-5 antibody in complex with the cognate TCR | 分子名称: | Anti-TCRVb6-5 Fab heavy chain, Anti-TCRVb6-5 Fab light chain, TRAV12-3, ... | 著者 | Katragadda, M, Servatalab, R, Wirth, J. | 登録日 | 2023-07-11 | 公開日 | 2023-11-08 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Innate TCR beta-chain engagement drives human T cells toward distinct memory-like effector phenotypes with immunotherapeutic potentials. Sci Adv, 9, 2023
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | 著者 | Larsen, N.A. | 登録日 | 2018-02-23 | 公開日 | 2018-03-21 | 最終更新日 | 2020-02-26 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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