1T8M
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![BU of 1t8m by Molmil](/molmil-images/mine/1t8m) | CRYSTAL STRUCTURE OF THE P1 HIS BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O. | Deposit date: | 2004-05-13 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants. J.Mol.Biol., 344, 2004
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4F2N
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2QMK
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![BU of 2qmk by Molmil](/molmil-images/mine/2qmk) | Human pancreatic alpha-amylase complexed with nitrite | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ... | Authors: | Williams, L.K, Maurus, R, Brayer, G.D. | Deposit date: | 2007-07-16 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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1T7C
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![BU of 1t7c by Molmil](/molmil-images/mine/1t7c) | CRYSTAL STRUCTURE OF THE P1 GLU BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | Descriptor: | Chymotrypsin A, Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Czapinska, H, Helland, R, Otlewski, J, Smalas, A.O. | Deposit date: | 2004-05-09 | Release date: | 2005-03-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of five bovine chymotrypsin complexes with P1 BPTI variants. J.Mol.Biol., 344, 2004
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1EAT
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![BU of 1eat by Molmil](/molmil-images/mine/1eat) | NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES | Descriptor: | 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ... | Authors: | Ceccarelli, C. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones. J.Med.Chem., 38, 1995
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2LL8
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![BU of 2ll8 by Molmil](/molmil-images/mine/2ll8) | Solution NMR structure of the specialized holo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs, Northeast Structural Genomics Consortium Target RpR324 | Descriptor: | 4'-PHOSPHOPANTETHEINE, Specialized acyl carrier protein | Authors: | Ramelot, T.A, Ni, S, Rossi, P, Yang, Y, Wang, H, Ciccosanti, C, Maglaqui, M, Janjua, H, Nair, R, Roset, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-31 | Release date: | 2011-11-30 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations. Biochemistry, 51, 2012
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6LOO
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![BU of 6loo by Molmil](/molmil-images/mine/6loo) | Crystal Structure of Class IB terpene synthase bound with geranylcitronellyl diphosphate | Descriptor: | Tetraprenyl-beta-curcumene synthase, phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate, phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate | Authors: | Fujihashi, M, Inagi, H, Miki, K. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Class IB Terpene Synthase: The First Crystal Structure Bound with a Substrate Surrogate. Acs Chem.Biol., 15, 2020
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6XB9
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![BU of 6xb9 by Molmil](/molmil-images/mine/6xb9) | Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid | Descriptor: | 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ... | Authors: | Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S. | Deposit date: | 2020-06-05 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center. J.Biol.Chem., 296, 2021
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6S6K
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![BU of 6s6k by Molmil](/molmil-images/mine/6s6k) | Crystal Structure of BRD4(1) bound to inhibitor BUX2 (9) | Descriptor: | (R,R)-2,3-BUTANEDIOL, Bromodomain-containing protein 4, ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Authors: | Huegle, M. | Deposit date: | 2019-07-03 | Release date: | 2020-12-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 4-Acyl Pyrroles as Dual BET-BRD7/9 Bromodomain Inhibitors Address BETi Insensitive Human Cancer Cell Lines. J.Med.Chem., 63, 2020
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2J6Z
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![BU of 2j6z by Molmil](/molmil-images/mine/2j6z) | Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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2J70
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![BU of 2j70 by Molmil](/molmil-images/mine/2j70) | Structural and functional characterisation of partner-switching regulating the environmental stress response in B. subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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7PHS
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4I31
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![BU of 4i31 by Molmil](/molmil-images/mine/4i31) | Crystal structure of HCV NS3/NS4A protease complexed with compound 4 | Descriptor: | (2R,6S,7E,10E,13aR,14aR,16aS)-2-{[7-methoxy-8-methyl-2-(propan-2-yloxy)quinolin-4-yl]oxy}-N-[(1-methylcyclopropyl)sulfonyl]-6-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,16-dioxo-1,2,3,6,9,12,13,13a,14,15,16,16a-dodecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, Genome polyprotein, HCV non-structural protein 4A, ... | Authors: | Lemke, C.T. | Deposit date: | 2012-11-23 | Release date: | 2013-01-02 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (1.9301 Å) | Cite: | Molecular Mechanism by Which a Potent Hepatitis C Virus NS3-NS4A Protease Inhibitor Overcomes Emergence of Resistance. J.Biol.Chem., 288, 2013
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7PP4
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6V03
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![BU of 6v03 by Molmil](/molmil-images/mine/6v03) | ELIC-propylammonium complex in POPC-only nanodiscs | Descriptor: | 3-AMINOPROPANE, Gamma-aminobutyric-acid receptor subunit beta-1 | Authors: | Grosman, C, Kumar, P. | Deposit date: | 2019-11-18 | Release date: | 2020-01-15 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer. Proc.Natl.Acad.Sci.USA, 117, 2020
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7Q59
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3QV7
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![BU of 3qv7 by Molmil](/molmil-images/mine/3qv7) | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25. | Descriptor: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ... | Authors: | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2011-02-25 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site. J.Biol.Chem., 286, 2011
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3QV6
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![BU of 3qv6 by Molmil](/molmil-images/mine/3qv6) | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80. | Descriptor: | 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2011-02-25 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site. J.Biol.Chem., 286, 2011
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3QV8
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![BU of 3qv8 by Molmil](/molmil-images/mine/3qv8) | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid. | Descriptor: | 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase | Authors: | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2011-02-25 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site. J.Biol.Chem., 286, 2011
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6PCQ
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![BU of 6pcq by Molmil](/molmil-images/mine/6pcq) | E. coli 50S ribosome bound to VM2 | Descriptor: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-18 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6PC6
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![BU of 6pc6 by Molmil](/molmil-images/mine/6pc6) | E. coli 50S ribosome bound to compound 47 | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-16 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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2J6Y
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![BU of 2j6y by Molmil](/molmil-images/mine/2j6y) | Structural and Functional Characterisation of partner switching regulating the environmental stress response in Bacillus subtilis | Descriptor: | PHOSPHOSERINE PHOSPHATASE RSBU | Authors: | Hardwick, S.W, Pane-Farre, J, Delumeau, O, Marles-Wright, J, Murray, J.W, Hecker, M, Lewis, R.J. | Deposit date: | 2006-10-05 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional characterization of partner switching regulating the environmental stress response in Bacillus subtilis. J. Biol. Chem., 282, 2007
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8ABT
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![BU of 8abt by Molmil](/molmil-images/mine/8abt) | Crystal structure of NaLdpA in complex with the product analog Resveratrol | Descriptor: | RESVERATROL, SULFATE ION, SnoaL-like domain-containing protein | Authors: | Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2022-07-04 | Release date: | 2023-02-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Biochemical and structural characterization of a sphingomonad diarylpropane lyase for cofactorless deformylation. Proc.Natl.Acad.Sci.USA, 120, 2023
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6PCH
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![BU of 6pch by Molmil](/molmil-images/mine/6pch) | E. coli 50S ribosome bound to compound 21 | Descriptor: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2019-06-17 | Release date: | 2020-06-17 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance. Nature, 586, 2020
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6VQL
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