3TPJ
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![BU of 3tpj by Molmil](/molmil-images/mine/3tpj) | APO structure of BACE1 | Descriptor: | Beta-secretase 1, CHLORIDE ION, SULFATE ION, ... | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | Deposit date: | 2011-09-08 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations Acta Crystallogr.,Sect.D, 68, 2012
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1ZLR
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![BU of 1zlr by Molmil](/molmil-images/mine/1zlr) | Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate | Descriptor: | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE, Coagulation factor XI, GLYCEROL, ... | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R, Strickler, J. | Deposit date: | 2005-05-09 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
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1QKK
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![BU of 1qkk by Molmil](/molmil-images/mine/1qkk) | Crystal structure of the receiver domain and linker region of DctD from Sinorhizobium meliloti | Descriptor: | C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN | Authors: | Meyer, M.G, Park, S, Zeringue, L, Staley, M, Mckinstry, M, Kaufman, R.I, Zhang, H, Yan, D, Yennawar, N, Farber, G.K, Nixon, B.T. | Deposit date: | 1999-07-23 | Release date: | 2000-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A dimeric two-component receiver domain inhibits the sigma54-dependent ATPase in DctD. Faseb J., 15, 2001
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3RSH
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![BU of 3rsh by Molmil](/molmil-images/mine/3rsh) | Structure of 3-ketoacyl-(acyl-carrier-protein)reductase (FabG) from Vibrio cholerae O1 complexed with NADP+ (space group P62) | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Hou, J, Chruszcz, M, Cooper, D.R, Grabowski, M, Zheng, H, Osinski, T, Shumilin, I, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-05-02 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Dissecting the Structural Elements for the Activation of beta-Ketoacyl-(Acyl Carrier Protein) Reductase from Vibrio cholerae. J.Bacteriol., 198, 2015
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1ZE7
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![BU of 1ze7 by Molmil](/molmil-images/mine/1ze7) | Zinc-binding domain of Alzheimer's disease amyloid beta-peptide in water solution at pH 6.5 | Descriptor: | 16-mer from Alzheimer's disease amyloid Protein | Authors: | Zirah, S, Kozin, S.A, Mazur, A.K, Blond, A, Cheminant, M, Segalas-Milazzo, I, Debey, P, Rebuffat, S. | Deposit date: | 2005-04-18 | Release date: | 2005-05-03 | Last modified: | 2013-10-09 | Method: | SOLUTION NMR | Cite: | Structural changes of region 1-16 of the Alzheimer disease amyloid beta-peptide upon zinc binding and in vitro aging. J.Biol.Chem., 281, 2006
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7JI0
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![BU of 7ji0 by Molmil](/molmil-images/mine/7ji0) | CryoEM structure of Streptococcus thermophilus SHP pheromone receptor Rgg3 in complex with SHP3 | Descriptor: | Positive transcriptional regulator MutR family, SHP3 | Authors: | Petrou, V.I, Capodagli, G.C, Kaelber, J.T, Neiditch, M.B. | Deposit date: | 2020-07-21 | Release date: | 2020-10-07 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structure-function studies of Rgg binding to pheromones and target promoters reveal a model of transcription factor interplay. Proc.Natl.Acad.Sci.USA, 117, 2020
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1P2D
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![BU of 1p2d by Molmil](/molmil-images/mine/1p2d) | Crystal Structure of Glycogen Phosphorylase B in complex with Beta Cyclodextrin | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M. | Deposit date: | 2003-04-15 | Release date: | 2003-09-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies. Protein Sci., 12, 2003
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7JKV
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![BU of 7jkv by Molmil](/molmil-images/mine/7jkv) | Crystal Structure of SARS-CoV-2 main protease in complex with an inhibitor GRL-2420 | Descriptor: | 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, PENTAETHYLENE GLYCOL | Authors: | Bulut, H, Hattori, S.I, Das, D, Murayama, K, Mitsuya, H. | Deposit date: | 2020-07-29 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication. Nat Commun, 12, 2021
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3KXX
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![BU of 3kxx by Molmil](/molmil-images/mine/3kxx) | Structure of the mutant Fibroblast Growth Factor receptor 1 | Descriptor: | Basic fibroblast growth factor receptor 1 | Authors: | Bae, J.H, Boggon, T.J, Tome, F, Mandiyan, V, Lax, I, Schlessinger, J. | Deposit date: | 2009-12-04 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Asymmetric receptor contact is required for tyrosine autophosphorylation of fibroblast growth factor receptor in living cells. Proc.Natl.Acad.Sci.USA, 107, 2010
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7GSP
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![BU of 7gsp by Molmil](/molmil-images/mine/7gsp) | RIBONUCLEASE T1/2',3'-CGPS, NON-PRODUCTIVE | Descriptor: | GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, PHOSPHATE ION, RIBONUCLEASE T1 | Authors: | Zegers, I, Wyns, L. | Deposit date: | 1997-12-10 | Release date: | 1998-03-18 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hydrolysis of a slow cyclic thiophosphate substrate of RNase T1 analyzed by time-resolved crystallography. Nat.Struct.Biol., 5, 1998
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7JFQ
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![BU of 7jfq by Molmil](/molmil-images/mine/7jfq) | The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145 | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, FORMIC ACID | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-17 | Release date: | 2020-07-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The crystal structure of 3CL MainPro of SARS-CoV-2 with de-oxidized C145 To Be Published
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1Z1X
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![BU of 1z1x by Molmil](/molmil-images/mine/1z1x) | Crystal Structure of a novel disintegrin from Saw-scaled viper at 3.2 A resolution | Descriptor: | disintegrin | Authors: | Hassan, M.I, Ethayathulla, A.S, Bilgrami, S, Singh, B, Yadav, S, Singh, T.P. | Deposit date: | 2005-03-07 | Release date: | 2005-04-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of a novel disintegrin from Saw-scaled viper at 3.2A resolution To be published
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2A36
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![BU of 2a36 by Molmil](/molmil-images/mine/2a36) | Solution structure of the N-terminal SH3 domain of DRK | Descriptor: | Protein E(sev)2B | Authors: | Forman-Kay, J.D, Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M. | Deposit date: | 2005-06-23 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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3L32
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![BU of 3l32 by Molmil](/molmil-images/mine/3l32) | |
2A8H
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![BU of 2a8h by Molmil](/molmil-images/mine/2a8h) | Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor | Descriptor: | 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION | Authors: | Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S. | Deposit date: | 2005-07-08 | Release date: | 2006-02-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. Bioorg.Med.Chem.Lett., 16, 2006
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7JGX
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![BU of 7jgx by Molmil](/molmil-images/mine/7jgx) | |
2A0P
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2A37
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![BU of 2a37 by Molmil](/molmil-images/mine/2a37) | Solution structure of the T22G mutant of N-terminal SH3 domain of DRK (DRKN SH3 DOMAIN) | Descriptor: | Protein E(sev)2B | Authors: | Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M, Forman-Kay, J.D. | Deposit date: | 2005-06-23 | Release date: | 2005-12-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant Biochemistry, 44, 2005
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4NYX
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![BU of 4nyx by Molmil](/molmil-images/mine/4nyx) | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | Descriptor: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-11 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand TO BE PUBLISHED
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7JHF
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![BU of 7jhf by Molmil](/molmil-images/mine/7jhf) | |
7JGY
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![BU of 7jgy by Molmil](/molmil-images/mine/7jgy) | |
1Z3J
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![BU of 1z3j by Molmil](/molmil-images/mine/1z3j) | Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P. | Deposit date: | 2005-03-13 | Release date: | 2005-04-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure. Proc.Natl.Acad.Sci.Usa, 102, 2005
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1Z0C
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![BU of 1z0c by Molmil](/molmil-images/mine/1z0c) | Crystal Structure of A. fulgidus Lon proteolytic domain D508A mutant | Descriptor: | Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-01 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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3UB1
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![BU of 3ub1 by Molmil](/molmil-images/mine/3ub1) | Ntf2 like protein involved in plasmid conjugation | Descriptor: | DI(HYDROXYETHYL)ETHER, ORF13-like protein | Authors: | Porter, C.J, Rosado, C.J, Bantwal, R, Bannam, T.L, Rood, J.I, Whisstock, J.C. | Deposit date: | 2011-10-22 | Release date: | 2012-02-08 | Last modified: | 2012-02-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The conjugation protein TcpC from Clostridium perfringens is structurally related to the type IV secretion system protein VirB8 from Gram-negative bacteria. Mol.Microbiol., 83, 2012
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1QZ5
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![BU of 1qz5 by Molmil](/molmil-images/mine/1qz5) | Structure of rabbit actin in complex with kabiramide C | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Klenchin, V.A, Allingham, J.S, King, R, Tanaka, J, Marriott, G, Rayment, I. | Deposit date: | 2003-09-15 | Release date: | 2003-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Trisoxazole macrolide toxins mimic the binding of actin-capping proteins to actin Nat.Struct.Biol., 10, 2003
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