4CEL
 
 | | ACTIVE-SITE MUTANT D214N DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | | Descriptor: | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION | | Authors: | Divne, C, Stahlberg, J, Jones, T.A. | | Deposit date: | 1996-08-24 | | Release date: | 1997-03-12 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
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4RQN
 | | Crystal structure of the native BICC1 SAM Domain R924E mutant | | Descriptor: | Protein bicaudal C homolog 1, ZINC ION | | Authors: | Leettola, C.N, Cascio, D, Bowie, J.U. | | Deposit date: | 2014-11-03 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Bicc1 SAM Polymer and Mapping of Interactions between the Ciliopathy-Associated Proteins Bicc1, ANKS3, and ANKS6.
Structure, 26, 2018
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4A56
 | | Crystal structure of the type 2 secretion system pilotin from Klebsiella Oxytoca | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, PULLULANASE SECRETION PROTEIN PULS | | Authors: | Tosi, T, Nickerson, N.N, Mollica, L, RingkjobingJensen, M, Blackledge, M, Baron, B, England, P, Pugsley, A.P, Dessen, A. | | Deposit date: | 2011-10-24 | | Release date: | 2011-12-07 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Pilotin-Secretin Recognition in the Type II Secretion System of Klebsiella Oxytoca.
Mol.Microbiol, 82, 2011
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2LPA
 | | Mutant of the sub-genomic promoter from Brome Mosaic Virus | | Descriptor: | RNA (5'-R(*GP*AP*GP*GP*AP*CP*AP*UP*AP*GP*UP*CP*UP*UP*C)-3') | | Authors: | Skov, J. | | Deposit date: | 2012-02-06 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The subgenomic promoter of brome mosaic virus folds into a stem-loop structure capped by a pseudo-triloop that is structurally similar to the triloop of the genomic promoter.
Rna, 18, 2012
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2LP9
 | | Pseudo-triloop from the sub-genomic promoter of Brome Mosaic Virus | | Descriptor: | RNA (5'-R(*GP*AP*GP*GP*AP*CP*AP*UP*AP*GP*AP*UP*CP*UP*UP*C)-3') | | Authors: | Skov, J. | | Deposit date: | 2012-02-06 | | Release date: | 2012-05-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The subgenomic promoter of brome mosaic virus folds into a stem-loop structure capped by a pseudo-triloop that is structurally similar to the triloop of the genomic promoter.
Rna, 18, 2012
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7JUM
 | | Pfs230 D1 domain in complex with neutralizing antibody LMIV230-01 | | Descriptor: | Gametocyte surface protein P230, Neutralizing antibody, LMIV230-01 Single-chain Fv | | Authors: | Tolia, N, Tang, W.K. | | Deposit date: | 2020-08-20 | | Release date: | 2021-03-31 | | Last modified: | 2021-04-07 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | A human monoclonal antibody blocks malaria transmission and defines a highly conserved neutralizing epitope on gametes.
Nat Commun, 12, 2021
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1RMZ
 | | Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | Deposit date: | 2003-11-28 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Conformational variability of matrix metalloproteinases: beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1H4F
 | | E. COLI BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I K328R | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION | | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Mcguire, K.A, Henriksen, A. | | Deposit date: | 2003-02-26 | | Release date: | 2004-03-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
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2MCN
 | | Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications | | Descriptor: | CD2-associated protein, Ubiquitin | | Authors: | Ortega-Roldan, J, Salmon, L, Azuaga, A, Blackledge, M, Van Nuland, N. | | Deposit date: | 2013-08-22 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications.
Plos One, 8, 2013
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1HGY
 | | CEL6A D221A mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL6A (FORMERLY CALLED CBH II), alpha-D-glucopyranose, ... | | Authors: | Zou, J.-Y, Kleywegt, G.J, Jones, T.A. | | Deposit date: | 2000-12-15 | | Release date: | 2002-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Active Site of Cellobiohydrolase Cel6A from Trichoderma Reesei: The Roles of Aspartic Acids D221 and D175
J.Am.Chem.Soc., 124, 2002
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1VST
 | | Symmetric Sulfolobus solfataricus uracil phosphoribosyltransferase with bound PRPP and GTP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Kadziola, A. | | Deposit date: | 2009-02-09 | | Release date: | 2009-09-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and kinetic studies of the allosteric transition in Sulfolobus solfataricus uracil phosphoribosyltransferase: Permanent activation by engineering of the C-terminus
J.Mol.Biol., 393, 2009
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1HGW
 | | CEL6A D175A mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE CEL6A (FORMERLY CALLED CBH II), COBALT (II) ION, ... | | Authors: | Zou, J.-Y, Jones, T.A. | | Deposit date: | 2000-12-15 | | Release date: | 2002-01-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Active Site of Cellobiohydrolase Cel6A from Trichoderma Reesei: The Roles of Aspartic Acids D221 and D175
J.Am.Chem.Soc., 124, 2002
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2N59
 | | Solution Structure of R. palustris CsgH | | Descriptor: | Putative uncharacterized protein CsgH | | Authors: | Hawthorne, W.J, Taylor, J.D, Escalera-Maurer, A, Lambert, S, Koch, M, Scull, N, Sefer, L, Xu, Y, Matthews, S.J. | | Deposit date: | 2015-07-13 | | Release date: | 2016-05-11 | | Method: | SOLUTION NMR | | Cite: | Electrostatically-guided inhibition of Curli amyloid nucleation by the CsgC-like family of chaperones.
Sci Rep, 6, 2016
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7KQL
 | | Anti-Tim3 antibody Fab complex | | Descriptor: | GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ... | | Authors: | Deng, X.A, West, S.M, Strop, P. | | Deposit date: | 2020-11-16 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
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2LZ6
 | | Distinct ubiquitin binding modes exhibited by sh3 domains: molecular determinants and functional implications | | Descriptor: | CD2-associated protein, Ubiquitin | | Authors: | Ortega-Roldan, J, Azuaga, A, Blackledge, M, Van Nuland, N. | | Deposit date: | 2012-09-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications.
Plos One, 8, 2013
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1F76
 | | ESCHERICHIA COLI DIHYDROOROTATE DEHYDROGENASE | | Descriptor: | Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, FORMIC ACID, ... | | Authors: | Norager, S, Jensen, K.F, Bjornberg, O, Larsen, S. | | Deposit date: | 2000-06-26 | | Release date: | 2002-10-16 | | Last modified: | 2014-03-12 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | E. coli Dihydroorotate Dehydrogenase Reveals Structural and Functional Distinction between different classes of
dihydroorotate dehydrogenases
Structure, 10, 2002
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2WI6
 | | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | | Descriptor: | 2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE, HEAT SHOCK PROTEIN, HSP90-ALPHA | | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | | Deposit date: | 2009-05-08 | | Release date: | 2009-07-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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1TGL
 | | A SERINE PROTEASE TRIAD FORMS THE CATALYTIC CENTRE OF A TRIACYLGLYCEROL LIPASE | | Descriptor: | TRIACYL-GLYCEROL ACYLHYDROLASE | | Authors: | Brady, L, Brzozowski, A.M, Derewenda, Z.S, Dodson, E.J, Dodson, G.G, Tolley, S.P, Turkenburg, J.P, Christiansen, L, Huge-Jensen, B, Norskov, L, Thim, L. | | Deposit date: | 1990-02-05 | | Release date: | 1990-10-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A serine protease triad forms the catalytic centre of a triacylglycerol lipase.
Nature, 343, 1990
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2BSL
 | | Crystal structure of L. lactis dihydroorotate dehydrogense A in complex with 3,4-dihydroxybenzoate | | Descriptor: | 3,4-DIHYDROXYBENZOIC ACID, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE A, ... | | Authors: | Wolfe, A.E, Hansen, M, Gattis, S.G, Hu, Y.-C, Johansson, E, Arent, S, Larsen, S, Palfey, B.A. | | Deposit date: | 2005-05-23 | | Release date: | 2006-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Interaction of Benzoate Pyrimidine Analogues with Class 1A Dihydroorotate Dehydrogenase from Lactococcus Lactis.
Biochemistry, 46, 2007
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2R59
 | | Leukotriene A4 hydrolase complexed with inhibitor RB3041 | | Descriptor: | ACETIC ACID, Leukotriene A-4 hydrolase, N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine, ... | | Authors: | Tholander, F, Haeggstrom, J.Z, Thunnissen, M, Muroya, A, Roques, B.P, Fournie-Zaluski, M.C. | | Deposit date: | 2007-09-03 | | Release date: | 2008-08-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-based dissection of the active site chemistry of leukotriene a4 hydrolase: implications for m1 aminopeptidases and inhibitor design.
Chem.Biol., 15, 2008
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2BX7
 | | Crystal structure of L. lactis dihydroorotate dehydrogense A in complex with 3,5-dihydroxybenzoate | | Descriptor: | 3,5-DIHYDROXYBENZOATE, ACETATE ION, DIHYDROOROTATE DEHYDROGENASE, ... | | Authors: | Wolfe, A.E, Hansen, M, Gattis, S.G, Hu, Y.-C, Johansson, E, Arent, S, Larsen, S, Palfey, B.A. | | Deposit date: | 2005-07-25 | | Release date: | 2006-08-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Interaction of Benzoate Pyrimidine Analogues with Class 1A Dihydroorotate Dehydrogenase from Lactococcus Lactis.
Biochemistry, 46, 2007
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3K8J
 | | Structure of crystal form III of TP0453 | | Descriptor: | 30kLP | | Authors: | Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G. | | Deposit date: | 2009-10-14 | | Release date: | 2010-10-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
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3K8H
 | | Structure of crystal form I of TP0453 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 30kLP | | Authors: | Zhu, G, Luthra, A, Desrosiers, D, Koszelak-Rosenblum, M, Mulay, V, Radolf, J.D, Malkowski, M.G. | | Deposit date: | 2009-10-14 | | Release date: | 2010-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | The Transition from Closed to Open Conformation of Treponema pallidum Outer Membrane-associated Lipoprotein TP0453 Involves Membrane Sensing and Integration by Two Amphipathic Helices.
J.Biol.Chem., 286, 2011
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3ZHM
 | | N-terminal domain of the CI repressor from bacteriophage TP901-1 in complex with the OL2 operator half-site | | Descriptor: | 5'-D(*AP*CP*GP*TP*GP*AP*AP*CP*TP*TP*GP*CP*AP*CP *TP*TP*GP*A)-3', 5'-D(*AP*GP*TP*TP*CP*AP*CP*GP*TP*TP*CP*AP*AP*GP *TP*GP*CP*A)-3', CI | | Authors: | Frandsen, K.H, Rasmussen, K.K, Poulsen, J.N, Lo Leggio, L. | | Deposit date: | 2012-12-22 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Binding of the N-Terminal Domain of the Lactococcal Bacteriophage Tp901-1 Ci Repressor to its Target DNA: A Crystallography, Small Angle Scattering, and Nuclear Magnetic Resonance Study.
Biochemistry, 52, 2013
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2O8M
 | | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | | Descriptor: | Protease, SODIUM ION, ZINC ION | | Authors: | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | | Deposit date: | 2006-12-12 | | Release date: | 2007-10-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
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