2IX2
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![BU of 2ix2 by Molmil](/molmil-images/mine/2ix2) | Crystal structure of the heterotrimeric PCNA from Sulfolobus solfataricus | 分子名称: | DNA POLYMERASE SLIDING CLAMP A, DNA POLYMERASE SLIDING CLAMP B, DNA POLYMERASE SLIDING CLAMP C | 著者 | Williams, G.J, Johnson, K, McMahon, S.A, Carter, L, Oke, M, Liu, H, Taylor, G.L, White, M.F, Naismith, J.H. | 登録日 | 2006-07-05 | 公開日 | 2006-10-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of the Heterotrimeric PCNA from Sulfolobus Solfataricus. Acta Crystallogr.,Sect.F, 62, 2006
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1EXP
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![BU of 1exp by Molmil](/molmil-images/mine/1exp) | BETA-1,4-GLYCANASE CEX-CD | 分子名称: | BETA-1,4-D-GLYCANASE CEX-CD, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | 著者 | White, A, Tull, D, Johns, K.L, Withers, S.G, Rose, D.R. | 登録日 | 1996-01-11 | 公開日 | 1997-01-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic observation of a covalent catalytic intermediate in a beta-glycosidase. Nat.Struct.Biol., 3, 1996
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1FQG
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1AP2
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![BU of 1ap2 by Molmil](/molmil-images/mine/1ap2) | SINGLE CHAIN FV OF C219 | 分子名称: | MONOCLONAL ANTIBODY C219 | 著者 | Hoedemaeker, P.J, Rose, D.R. | 登録日 | 1997-07-23 | 公開日 | 1997-12-24 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | A single chain Fv fragment of P-glycoprotein-specific monoclonal antibody C219. Design, expression, and crystal structure at 2.4 A resolution. J.Biol.Chem., 272, 1997
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1MVU
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2AP2
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3GMU
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![BU of 3gmu by Molmil](/molmil-images/mine/3gmu) | Crystal Structure of Beta-Lactamse Inhibitory Protein (BLIP) in Apo Form | 分子名称: | AMMONIUM ION, Beta-lactamase inhibitory protein, SULFATE ION | 著者 | Strynadka, N.C.J, Gretes, M, James, M.N.G. | 登録日 | 2009-03-15 | 公開日 | 2009-03-31 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP. J.Mol.Biol., 389, 2009
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1BLN
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![BU of 1bln by Molmil](/molmil-images/mine/1bln) | ANTI-P-GLYCOPROTEIN FAB MRK-16 | 分子名称: | PROTEIN (MONOCLONAL ANTIBODY MRK-16 (HEAVY CHAIN)), PROTEIN (MONOCLONAL ANTIBODY MRK-16 (LIGHT CHAIN)) | 著者 | Vasudevan, S, Tsuruo, T, Rose, D.R. | 登録日 | 1998-07-16 | 公開日 | 1998-10-28 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Mode of binding of anti-P-glycoprotein antibody MRK-16 to its antigen. A crystallographic and molecular modeling study. J.Biol.Chem., 273, 1998
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8PHI
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![BU of 8phi by Molmil](/molmil-images/mine/8phi) | Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ... | 著者 | Rajak, M, Krey, T. | 登録日 | 2023-06-19 | 公開日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.289 Å) | 主引用文献 | Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor. Nat Commun, 15, 2024
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5IF6
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8D4Z
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![BU of 8d4z by Molmil](/molmil-images/mine/8d4z) | Crystal structure of USP7 in complex with allosteric inhibitor FX1-3763 | 分子名称: | 1-({(7M)-7-[1-(azetidin-3-yl)-6-chloro-1,2,3,4-tetrahydroquinolin-8-yl]thieno[3,2-b]pyridin-2-yl}methyl)pyrrolidine-2,5-dione, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Bell, J.A. | 登録日 | 2022-06-03 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Novel USP7 inhibitors demonstrate potent anti-cancer activity in models of AML, synergy with BCL2 inhibition, and a differentiated mechanism of action To Be Published
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8FOW
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![BU of 8fow by Molmil](/molmil-images/mine/8fow) | Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ... | 著者 | Schonbrunn, E, Sun, L. | 登録日 | 2023-01-03 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
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8FP5
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![BU of 8fp5 by Molmil](/molmil-images/mine/8fp5) | CDK2 liganded with ATP and Mg2+ | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... | 著者 | Schonbrunn, E, Sun, L. | 登録日 | 2023-01-04 | 公開日 | 2023-05-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
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8FP0
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8G21
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4KNR
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![BU of 4knr by Molmil](/molmil-images/mine/4knr) | Hin GlmU bound to WG188 | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, ... | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | 登録日 | 2013-05-10 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KPX
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![BU of 4kpx by Molmil](/molmil-images/mine/4kpx) | Hin GlmU bound to WG766 | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide, ... | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | 登録日 | 2013-05-14 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KNX
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![BU of 4knx by Molmil](/molmil-images/mine/4knx) | Hin GlmU Bound to WG176 | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, SULFATE ION, ... | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | 登録日 | 2013-05-10 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KQL
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![BU of 4kql by Molmil](/molmil-images/mine/4kql) | Hin GlmU bound to WG578 | 分子名称: | Bifunctional protein GlmU, MAGNESIUM ION, N-(4-{[3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-methoxybenzoyl]amino}phenyl)pyridine-2-carboxamide, ... | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | 登録日 | 2013-05-15 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KPZ
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![BU of 4kpz by Molmil](/molmil-images/mine/4kpz) | Hin GlmU bound to a small molecule fragment | 分子名称: | 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione, Bifunctional protein GlmU, MAGNESIUM ION, ... | 著者 | Doig, P, Kazmirski, S.L, Boriack-Sjodin, P.A. | 登録日 | 2013-05-14 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg.Med.Chem., 22, 2014
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4KW5
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![BU of 4kw5 by Molmil](/molmil-images/mine/4kw5) | M. tuberculosis DprE1 in complex with inhibitor TCA1 | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, IMIDAZOLE, ... | 著者 | Batt, S.M, Besra, G.S, Futterer, K. | 登録日 | 2013-05-23 | 公開日 | 2013-07-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | 主引用文献 | Identification of a small molecule with activity against drug-resistant and persistent tuberculosis. Proc.Natl.Acad.Sci.USA, 110, 2013
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7RWE
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![BU of 7rwe by Molmil](/molmil-images/mine/7rwe) | Crystal structure of CDK2 liganded with compound GPHR787 | 分子名称: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-08-19 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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7RWF
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![BU of 7rwf by Molmil](/molmil-images/mine/7rwf) | Crystal structure of CDK2 in complex with TW8672 | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-08-19 | 公開日 | 2022-08-24 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
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7RXO
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![BU of 7rxo by Molmil](/molmil-images/mine/7rxo) | Crystal structure of CDK2 liganded with compound WN333 | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-08-23 | 公開日 | 2022-08-31 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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7S4T
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![BU of 7s4t by Molmil](/molmil-images/mine/7s4t) | Crystal structure of CDK2 liganded with compound EF2252 | 分子名称: | 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | 著者 | Sun, L, Schonbrunn, E. | 登録日 | 2021-09-09 | 公開日 | 2022-09-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
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