1HXF
 
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4RQ9
 | | Crystal structure of the chromophore-binding domain of Stigmatella aurantiaca bacteriophytochrome (Thr289His mutant) in the Pr state | | Descriptor: | 1,2-ETHANEDIOL, BILIVERDINE IX ALPHA, GLYCEROL, ... | | Authors: | Woitowich, N.C, Halavaty, A.S, Gallagher, K.D, Nugent, A.C, Patel, H, Duong, P, Kovaleva, S.E, St.Peter, S, Ozarowski, W.B, Hernandez, C.N, Stojkovic, E.A. | | Deposit date: | 2014-10-31 | | Release date: | 2016-05-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the chromophore-binding domain of Stigmatella aurantiaca bacteriophytochrome (Thr289His mutant) in the Pr state
To be Published
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1ZTQ
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033 | | Descriptor: | CALCIUM ION, Collagenase 3, N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE, ... | | Authors: | Wu, J, Rush III, T.S, Hotchandani, R, Du, X, Geck, M, Collins, E, Xu, Z.B, Skotnicki, J, Levin, J.I, Lovering, F. | | Deposit date: | 2005-05-27 | | Release date: | 2006-05-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of potent and selective MMP-13 inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
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1PZY
 | | W314A-BETA1,4-GALACTOSYLTRANSFERASE-I COMPLEXED WITH ALPHA-LACTALBUMIN IN THE PRESENCE OF N-ACETYLGLUCOSAMINE, UDP AND MANGANESE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ... | | Authors: | Ramasamy, V, Ramakrishnan, B, Boeggeman, E, Qasba, P.K. | | Deposit date: | 2003-07-14 | | Release date: | 2003-09-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Role of Tryptophan 314 in the Conformational Changes of beta 1,4-Galactosyltransferase-I
J.Mol.Biol., 331, 2003
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3L33
 | | Human mesotrypsin complexed with amyloid precursor protein inhibitor(APPI) | | Descriptor: | Amyloid beta A4 protein, CALCIUM ION, FORMIC ACID, ... | | Authors: | Salameh, M.A, Soares, A.S, Radisky, E.S. | | Deposit date: | 2009-12-16 | | Release date: | 2010-09-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
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5UB9
 | | Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni | | Descriptor: | ACETATE ION, ATP phosphoribosyltransferase, CHLORIDE ION, ... | | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-12-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
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1GAI
 | | GLUCOAMYLASE-471 COMPLEXED WITH D-GLUCO-DIHYDROACARBOSE | | Descriptor: | 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE-471, alpha-D-mannopyranose, ... | | Authors: | Aleshin, A.E, Stoffer, B, Firsov, L.M, Svensson, B, Honzatko, R.B. | | Deposit date: | 1996-03-06 | | Release date: | 1996-08-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystallographic complexes of glucoamylase with maltooligosaccharide analogs: relationship of stereochemical distortions at the nonreducing end to the catalytic mechanism.
Biochemistry, 35, 1996
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4S21
 | | Crystal structure of the photosensory core module of bacteriophytochrome RPA3015 from R. palustris | | Descriptor: | BILIVERDINE IX ALPHA, Bacteriophytochrome (Light-regulated signal transduction histidine kinase), PhyB1 | | Authors: | Yang, X, Stojkovi, E.A, Ozarowski, W.B, Moffat, K. | | Deposit date: | 2015-01-17 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Light Signaling Mechanism of Two Tandem Bacteriophytochromes.
Structure, 23, 2015
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2WOL
 | | Clavulanic acid biosynthesis oligopeptide binding protein 2 | | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL | | Authors: | MacKenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | | Deposit date: | 2009-07-27 | | Release date: | 2009-12-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal Structures of an Oligopeptide-Binding Protein from the Biosynthetic Pathway of the Beta-Lactamase Inhibitor Clavulanic Acid.
J.Mol.Biol., 396, 2010
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5R4O
 | | PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-25 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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5R4Z
 | | XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13605a | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | XChem fragment screen
To Be Published
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5TXV
 | | HslU P21 cell with 4 hexamers | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent protease ATPase subunit HslU | | Authors: | Grant, R.A, Chen, J, Glynn, S.E, Sauer, R.T. | | Deposit date: | 2016-11-17 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (7.086 Å) | | Cite: | Covalently linked HslU hexamers support a probabilistic mechanism that links ATP hydrolysis to protein unfolding and translocation.
J. Biol. Chem., 292, 2017
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2CNF
 | | Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B | | Descriptor: | (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M, Becker-Pasha, M, Yue, E.W, Douty, B, Wayland, B, Polam, P, Crawley, M.L, McLaughlin, E, Sparks, R.B, Glass, B, Takvorian, A, Combs, A.P, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-21 | | Release date: | 2006-09-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Insights Into the Design of Nonpeptidic Isothiazolidinone-Containing Inhibitors of Protein- Tyrosine Phosphatase 1B.
J.Biol.Chem., 281, 2006
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1Q5O
 | | HCN2J 443-645 in the presence of cAMP, selenomethionine derivative | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 | | Authors: | Zagotta, W.N, Olivier, N.B, Black, K.D, Young, E.C, Olson, R, Gouaux, J.E. | | Deposit date: | 2003-08-08 | | Release date: | 2003-09-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | STRUCTURAL BASIS FOR MODULATION AND AGONIST SPECIFICITY OF HCN PACEMAKER CHANNELS
Nature, 425, 2003
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2XLN
 | | Crystal structure of a complex between Actinomadura R39 DD-peptidase and a boronate inhibitor | | Descriptor: | COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE,, SULFATE ION, ... | | Authors: | Sauvage, E, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | | Deposit date: | 2010-07-21 | | Release date: | 2011-01-26 | | Last modified: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein Inhibitors
Acs Med.Chem.Lett., 2, 2011
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2XCN
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-23 | | Release date: | 2010-06-02 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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1V8P
 | | Crystal structure of PAE2754 from Pyrobaculum aerophilum | | Descriptor: | CHLORIDE ION, hypothetical protein PAE2754 | | Authors: | Arcus, V.L, Backbro, K, Roos, A, Daniel, E.L, Baker, E.N. | | Deposit date: | 2004-01-12 | | Release date: | 2004-02-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Distant structural homology leads to the functional characterization of an archaeal PIN domain as an exonuclease
J.Biol.Chem., 279, 2004
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3KVZ
 | | Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thiesterase FlK - wild type FlK in complex with FAcCPan | | Descriptor: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide, Fluoroacetyl-CoA thioesterase FlK | | Authors: | Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L. | | Deposit date: | 2009-11-30 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
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4TYO
 | | PPIase in complex with a non-phosphate small molecule inhibitor. | | Descriptor: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Greasley, S.E, Ferre, R.A. | | Deposit date: | 2014-07-08 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket.
Bioorg.Med.Chem.Lett., 24, 2014
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2XCF
 | | Crystal structure of HCV NS3 protease with a boronate inhibitor | | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
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4U0R
 | | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody 9AD4 | | Descriptor: | Monoclonal antibody 9AD4 heavy chain, Monoclonal antibody 9AD4 light chain, Reticulocyte binding protein 5 | | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | | Deposit date: | 2014-07-14 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
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5R4K
 | | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000292a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-24 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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5R4W
 | | XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13501a | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | XChem fragment screen
To Be Published
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1L35
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5R4I
 | | PanDDA analysis group deposition -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF in complex with FMOPL000443a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide, DIMETHYL SULFOXIDE, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-24 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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