2X9J
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4A9I
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![BU of 4a9i by Molmil](/molmil-images/mine/4a9i) | N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one | 分子名称: | 1,2-ETHANEDIOL, 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE, BROMODOMAIN CONTAINING 2, ... | 著者 | Chung, C.W, Bamborough, P. | 登録日 | 2011-11-26 | 公開日 | 2012-01-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
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2WNL
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![BU of 2wnl by Molmil](/molmil-images/mine/2wnl) | CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,4,5,6-tetrahydro-2,3'-bipyridine, 5-amino-1-pyridin-3-ylpentan-1-one, ... | 著者 | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | 登録日 | 2009-07-09 | 公開日 | 2009-09-01 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor. EMBO J., 28, 2009
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4AMO
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1OWH
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![BU of 1owh by Molmil](/molmil-images/mine/1owh) | Substituted 2-Naphthamidine Inhibitors of Urokinase | 分子名称: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | 著者 | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | 登録日 | 2003-03-28 | 公開日 | 2003-09-30 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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4A9F
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1OYU
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4AFP
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![BU of 4afp by Molmil](/molmil-images/mine/4afp) | The structure of metacaspase 2 from T. brucei determined in the presence of Samarium | 分子名称: | METACASPASE MCA2, SAMARIUM (III) ION | 著者 | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | 登録日 | 2012-01-23 | 公開日 | 2012-05-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
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6O2A
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![BU of 6o2a by Molmil](/molmil-images/mine/6o2a) | Crystal structure of 4493 Fab in complex with circumsporozoite protein NDN and anti-kappa VHH domain | 分子名称: | 1,2-ETHANEDIOL, 4493 Fab heavy chain, 4493 Kappa light chain, ... | 著者 | Scally, S.W, Bosch, A, Prieto, K, Murugan, R, Wardemann, H, Julien, J.P. | 登録日 | 2019-02-22 | 公開日 | 2020-07-01 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Evolution of protective human antibodies against Plasmodium falciparum circumsporozoite protein repeat motifs. Nat. Med., 26, 2020
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6NYJ
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![BU of 6nyj by Molmil](/molmil-images/mine/6nyj) | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2b (OA-2b) | 分子名称: | Vacuolating cytotoxin autotransporter | 著者 | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | 登録日 | 2019-02-11 | 公開日 | 2019-03-27 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3V56
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![BU of 3v56 by Molmil](/molmil-images/mine/3v56) | Re-refinement of PDB entry 1OSG - Complex between BAFF and a BR3 derived peptide presented in a beta-hairpin scaffold - reveals an additonal copy of the peptide. | 分子名称: | BR3 derived peptive, SULFATE ION, Tumor necrosis factor ligand superfamily member 13B | 著者 | Smart, O.S, Womack, T.O, Flensburg, C, Keller, P, Sharff, A, Paciorek, W, Vonrhein, C, Bricogne, G. | 登録日 | 2011-12-16 | 公開日 | 2012-03-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER. Acta Crystallogr.,Sect.D, 68, 2012
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6IJS
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![BU of 6ijs by Molmil](/molmil-images/mine/6ijs) | Human PPARgamma ligand binding domain complexed with SB1494 | 分子名称: | 16-mer peptide from Nuclear receptor coactivator 1, N-{[3-({[(1R,2S)-2-{[(2E)-2-cyano-4,4-dimethylpent-2-enoyl]amino}cyclopentyl]oxy}methyl)phenyl]methyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Peroxisome proliferator-activated receptor gamma | 著者 | Jang, J.Y, Han, B.W. | 登録日 | 2018-10-11 | 公開日 | 2019-10-16 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis for the inhibitory effects of a novel reversible covalent ligand on PPAR gamma phosphorylation. Sci Rep, 9, 2019
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1OV7
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![BU of 1ov7 by Molmil](/molmil-images/mine/1ov7) | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol | 分子名称: | 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-25 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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6O0O
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![BU of 6o0o by Molmil](/molmil-images/mine/6o0o) | crystal structure of BCL-2 G101V mutation with S55746 | 分子名称: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | 著者 | Birkinshaw, R.W, Luo, C.S, Colman, P.M, Czabotar, P.E. | 登録日 | 2019-02-17 | 公開日 | 2019-05-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun, 10, 2019
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6O0T
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![BU of 6o0t by Molmil](/molmil-images/mine/6o0t) | Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1 | 分子名称: | Sterile alpha and TIR motif-containing protein 1 | 著者 | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | 登録日 | 2019-02-17 | 公開日 | 2019-09-04 | 最終更新日 | 2020-01-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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6CIK
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![BU of 6cik by Molmil](/molmil-images/mine/6cik) | Pre-Reaction Complex, RAG1(E962Q)/2-intact/nicked 12/23RSS complex in Mn2+ | 分子名称: | DNA (5'-D(*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 12RSS substrate forward strand, ... | 著者 | Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W. | 登録日 | 2018-02-24 | 公開日 | 2018-04-25 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Cracking the DNA Code for V(D)J Recombination. Mol. Cell, 70, 2018
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6O1B
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![BU of 6o1b by Molmil](/molmil-images/mine/6o1b) | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sterile alpha and TIR motif-containing protein 1 | 著者 | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | 登録日 | 2019-02-18 | 公開日 | 2019-09-04 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | NAD+cleavage activity by animal and plant TIR domains in cell death pathways. Science, 365, 2019
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1OWE
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![BU of 1owe by Molmil](/molmil-images/mine/1owe) | Substituted 2-Naphthamidine inhibitors of urokinase | 分子名称: | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-2-NAPHTHAMIDE, SULFATE ION, Urokinase-type plasminogen activator | 著者 | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | 登録日 | 2003-03-28 | 公開日 | 2003-09-30 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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1OV5
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![BU of 1ov5 by Molmil](/molmil-images/mine/1ov5) | T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol | 分子名称: | 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | 登録日 | 2003-03-25 | 公開日 | 2004-04-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
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1J3S
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1OWI
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![BU of 1owi by Molmil](/molmil-images/mine/1owi) | Substituted 2-Naphthamidine Inhibitors of Urokinase | 分子名称: | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3-(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator | 著者 | Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L. | 登録日 | 2003-03-28 | 公開日 | 2003-09-30 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution. J.Med.Chem., 47, 2004
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5KJ8
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![BU of 5kj8 by Molmil](/molmil-images/mine/5kj8) | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (long unit cell form) - from synchrotron diffraction | 分子名称: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | 著者 | Lyubimov, A.Y, Uervirojnangkoorn, M, Zhou, Q, Zhao, M, Sauter, N.K, Brewster, A.S, Weis, W.I, Brunger, A.T. | 登録日 | 2016-06-17 | 公開日 | 2016-10-19 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | 主引用文献 | Advances in X-ray free electron laser (XFEL) diffraction data processing applied to the crystal structure of the synaptotagmin-1 / SNARE complex. Elife, 5, 2016
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3V48
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![BU of 3v48 by Molmil](/molmil-images/mine/3v48) | Crystal Structure of the putative alpha/beta hydrolase RutD from E.coli | 分子名称: | GLYCEROL, Putative aminoacrylate hydrolase RutD, THIOCYANATE ION | 著者 | Knapik, A.A, Petkowski, J.J, Otwinowski, Z, Cymborowski, M.T, Cooper, D.R, Chruszcz, M, Porebski, P.J, Niedzialkowska, E, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2011-12-14 | 公開日 | 2012-01-04 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A multi-faceted analysis of RutD reveals a novel family of alpha / beta hydrolases. Proteins, 80, 2012
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2K24
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1ONJ
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![BU of 1onj by Molmil](/molmil-images/mine/1onj) | Crystal structure of Atratoxin-b from Chinese cobra venom of Naja atra | 分子名称: | Cobrotoxin b, SULFATE ION | 著者 | Lou, X, Tu, X, Pan, G, Xu, C, Fan, R, Lu, W, Deng, W, Rao, P, Teng, M, Niu, L. | 登録日 | 2003-02-28 | 公開日 | 2004-02-28 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.555 Å) | 主引用文献 | Purification, N-terminal sequencing, crystallization and preliminary structural determination of atratoxin-b, a short-chain alpha-neurotoxin from Naja atra venom. Acta Crystallogr.,Sect.D, 59, 2003
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