6PQ3
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![BU of 6pq3 by Molmil](/molmil-images/mine/6pq3) | Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K. | 登録日 | 2019-07-08 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling. J.Biol.Chem., 295, 2020
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6W9A
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![BU of 6w9a by Molmil](/molmil-images/mine/6w9a) | RNF12 RING domain in complex with Ube2e2 | 分子名称: | E3 ubiquitin-protein ligase RLIM, GLYCEROL, Ubiquitin-conjugating enzyme E2 E2, ... | 著者 | Middleton, A.J, Day, C.L. | 登録日 | 2020-03-22 | 公開日 | 2020-05-20 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The RING Domain of RING Finger 12 Efficiently Builds Degradative Ubiquitin Chains. J.Mol.Biol., 432, 2020
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7ZSX
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7ZLM
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![BU of 7zlm by Molmil](/molmil-images/mine/7zlm) | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551 | 分子名称: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | 著者 | Ramachandran, S, Ciulli, A, Makukhin, N. | 登録日 | 2022-04-15 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2. Nat Commun, 14, 2023
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5KEN
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![BU of 5ken by Molmil](/molmil-images/mine/5ken) | EBOV GP in complex with variable Fab domains of IgGs c4G7 and c13C6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ebola surface glycoprotein, ... | 著者 | Pallesen, J, Murin, C.D, de Val, N, Cottrell, C.A, Hastie, K.M, Turner, H.L, Fusco, M.L, Flyak, A.I, Zeitlin, L, Crowe Jr, J.E, Andersen, K.G, Saphire, E.O, Ward, A.B. | 登録日 | 2016-06-09 | 公開日 | 2016-09-07 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structures of Ebola virus GP and sGP in complex with therapeutic antibodies. Nat Microbiol, 1, 2016
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2VTV
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![BU of 2vtv by Molmil](/molmil-images/mine/2vtv) | PhaZ7 depolymerase from Paucimonas lemoignei | 分子名称: | GLYCEROL, PHB depolymerase PhaZ7 | 著者 | Papageorgiou, A.C, Hermawan, S, Singh, C.B, Jendrossek, D. | 登録日 | 2008-05-16 | 公開日 | 2008-08-26 | 最終更新日 | 2019-07-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis of poly(3-hydroxybutyrate) hydrolysis by PhaZ7 depolymerase from Paucimonas lemoignei. J. Mol. Biol., 382, 2008
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5DIV
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![BU of 5div by Molmil](/molmil-images/mine/5div) | The Fk1 domain of FKBP51 in complex with the new synthetic ligand (S)-N-(1-carbamoylcyclopentyl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide | 分子名称: | (2S)-N-(1-carbamoylcyclopentyl)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxamide, Peptidyl-prolyl cis-trans isomerase FKBP5 | 著者 | Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. | 登録日 | 2015-09-01 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J.Med.Chem., 59, 2016
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2J95
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![BU of 2j95 by Molmil](/molmil-images/mine/2j95) | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | 分子名称: | 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, ... | 著者 | 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. | 登録日 | 2006-11-02 | 公開日 | 2007-03-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | 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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7ZRX
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5KGI
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7ZSV
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2J1X
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5D51
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![BU of 5d51 by Molmil](/molmil-images/mine/5d51) | Krypton derivatization of an O2-tolerant membrane-bound [NiFe] hydrogenase reveals a hydrophobic gas tunnel network | 分子名称: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | 著者 | Kalms, J, Schmidt, A, Frielingsdorf, S, van der Linden, P, von Stetten, D, Lenz, O, Carpentier, P, Scheerer, P. | 登録日 | 2015-08-10 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Krypton Derivatization of an O2 -Tolerant Membrane-Bound [NiFe] Hydrogenase Reveals a Hydrophobic Tunnel Network for Gas Transport. Angew.Chem.Int.Ed.Engl., 55, 2016
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6D0D
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![BU of 6d0d by Molmil](/molmil-images/mine/6d0d) | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-087-13 | 分子名称: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Ghosh, A.K, Mitsuya, H. | 登録日 | 2018-04-10 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Novel Central Nervous System (CNS)-Targeting Protease Inhibitors for Drug-Resistant HIV Infection and HIV-Associated CNS Complications. Antimicrob.Agents Chemother., 63, 2019
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2W36
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![BU of 2w36 by Molmil](/molmil-images/mine/2w36) | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | 分子名称: | 5'-D(*CP*GP*AP*TP*CP*TP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*BRUP*AP*CP*IP*GP*AP*BRUP*CP*GP)-3', ENDONUCLEASE V | 著者 | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | 登録日 | 2008-11-06 | 公開日 | 2009-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair. Nat.Struct.Mol.Biol., 16, 2009
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7ZRW
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2W8T
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![BU of 2w8t by Molmil](/molmil-images/mine/2w8t) | SPT with PLP, N100C | 分子名称: | PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE | 著者 | Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H. | 登録日 | 2009-01-19 | 公開日 | 2009-01-27 | 最終更新日 | 2015-11-18 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics. J.Biol.Chem., 284, 2009
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7ZS4
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5KCF
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![BU of 5kcf by Molmil](/molmil-images/mine/5kcf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative | 分子名称: | (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | 著者 | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | 登録日 | 2016-06-06 | 公開日 | 2016-11-16 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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5KF2
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![BU of 5kf2 by Molmil](/molmil-images/mine/5kf2) | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, apo form, pH 8 | 分子名称: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, COENZYME A, ... | 著者 | Holden, H.M, Thoden, J.B, Dopkins, B.J, Tipton, P.A. | 登録日 | 2016-06-11 | 公開日 | 2016-07-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase. Biochemistry, 55, 2016
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4ID4
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![BU of 4id4 by Molmil](/molmil-images/mine/4id4) | Crystal structure of chimeric beta-lactamase cTEM-17m | 分子名称: | Beta-lactamase TEM, Beta-lactamase PSE-4, CHLORIDE ION, ... | 著者 | Park, J, Gobeil, S, Pelletier, J.N, Berghuis, A.M. | 登録日 | 2012-12-11 | 公開日 | 2013-12-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Maintenance of Native-like Protein Dynamics May Not Be Required for Engineering Functional Proteins. Chem.Biol., 21, 2014
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2W1J
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![BU of 2w1j by Molmil](/molmil-images/mine/2w1j) | CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae | 分子名称: | GLYCEROL, PUTATIVE SORTASE | 著者 | Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A. | 登録日 | 2008-10-17 | 公開日 | 2008-12-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae. Structure, 16, 2008
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5KDS
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![BU of 5kds by Molmil](/molmil-images/mine/5kds) | ZmpB metallopeptidase in complex with an O-glycopeptide (a2,6-sialylated core-3 pentapeptide). | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-galactopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B. | 登録日 | 2016-06-08 | 公開日 | 2017-01-11 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Recognition of protein-linked glycans as a determinant of peptidase activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6PPY
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![BU of 6ppy by Molmil](/molmil-images/mine/6ppy) | Crystal structure of NeuNAc oxime complexed with NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis | 分子名称: | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name), N-acetylneuraminate synthase | 著者 | Rosanally, A.Z, Junop, M.J, Berti, P.J. | 登録日 | 2019-07-08 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB. Biochemistry, 58, 2019
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5KE2
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![BU of 5ke2 by Molmil](/molmil-images/mine/5ke2) | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | 分子名称: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | 著者 | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2016-06-09 | 公開日 | 2016-07-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a to be published
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