5M8G
 
 | | Tubulin-MTD265 complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | | Deposit date: | 2016-10-28 | | Release date: | 2017-02-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.147 Å) | | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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1QWS
 | | Structure of the D181N variant of catalase HPII from E. coli | | Descriptor: | Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chelikani, P, Carpena, X, Fita, I, Loewen, P.C. | | Deposit date: | 2003-09-03 | | Release date: | 2003-10-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | An electrical potential in the access channel of catalases enhances catalysis
J.Biol.Chem., 278, 2003
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1LFQ
 | | OXY HEMOGLOBIN (93% RELATIVE HUMIDITY) | | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Biswal, B.K, Vijayan, M. | | Deposit date: | 2002-04-12 | | Release date: | 2002-10-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of human oxy- and deoxyhaemoglobin at different levels of humidity: variability in the T state.
Acta Crystallogr.,Sect.D, 58, 2002
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8QTT
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1NM0
 | | Proteus mirabilis catalase in complex with formiate | | Descriptor: | Catalase, FORMIC ACID, GLYCEROL, ... | | Authors: | Andreoletti, P, Pernoud, A, Gouet, P, Jouve, H.M. | | Deposit date: | 2003-01-08 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural studies of Proteus mirabilis catalase in its ground state, oxidized state and in complex with formic acid.
Acta Crystallogr.,Sect.D, 59, 2003
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1KE6
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | | Descriptor: | Cell division protein kinase 2, N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.H, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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6F8G
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1NO6
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy | | Descriptor: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-15 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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1NPF
 | | MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITRIC OXIDE | | Descriptor: | Myoglobin, NITRIC OXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Copeland, D.M, West, A.H, Richter-Addo, G.B. | | Deposit date: | 2003-01-17 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane.
Proteins, 53, 2003
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8FVS
 | | Bromodomain of CBP liganded with CCS1477int | | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase, MAGNESIUM ION, ... | | Authors: | Schonbrunn, E, Bikowitz, M. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
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2E2D
 | | Flexibility and variability of TIMP binding: X-ray structure of the complex between collagenase-3/MMP-13 and TIMP-2 | | Descriptor: | CALCIUM ION, Matrix metallopeptidase 13, Metalloproteinase inhibitor 2, ... | | Authors: | Maskos, K, Lang, R, Tschesche, H, Bode, W. | | Deposit date: | 2006-11-11 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Flexibility and Variability of TIMP Binding: X-ray Structure of the Complex Between Collagenase-3/MMP-13 and TIMP-2
J.Mol.Biol., 366, 2007
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7TV4
 | | Crystal structure of NEMO CoZi in complex with HOIP NZF1 and linear diubiquitin | | Descriptor: | E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, Polyubiquitin-C, ... | | Authors: | Rahighi, S, Iyer, M, Oveisi, H. | | Deposit date: | 2022-02-03 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Structural basis for the simultaneous recognition of NEMO and acceptor ubiquitin by the HOIP NZF1 domain.
Sci Rep, 12, 2022
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3B8T
 | | Crystal structure of Escherichia coli alaine racemase mutant P219A | | Descriptor: | Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X. | | Deposit date: | 2007-11-02 | | Release date: | 2008-07-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
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1UP3
 | | Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with METHYL-CELLOBIOSYL-4-DEOXY-4-THIO-BETA-D-CELLOBIOSIDE at 1.6 angstrom | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, PUTATIVE CELLULASE CEL6, SULFATE ION, ... | | Authors: | Varrot, A, Leydier, S, Pell, G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2003-09-26 | | Release date: | 2004-11-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mycobacterium Tuberculosis Strains Possess Functional Cellulases.
J.Biol.Chem., 280, 2005
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2XJP
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and mannose | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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1KND
 | | Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with Catechol under Anaerobic Condition | | Descriptor: | 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE, CATECHOL, FE (II) ION, ... | | Authors: | Han, S, Bolin, J.T. | | Deposit date: | 2001-12-18 | | Release date: | 2002-03-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the stabilization and inhibition of 2, 3-dihydroxybiphenyl 1,2-dioxygenase by t-butanol.
J.Biol.Chem., 273, 1998
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4Y7Y
 | | Yeast 20S proteasome in complex with Ac-LAA-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAA-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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2XJS
 | | X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and a1,2-mannobiose | | Descriptor: | CALCIUM ION, CHLORIDE ION, FLOCCULATION PROTEIN FLO5, ... | | Authors: | Veelders, M, Brueckner, S, Ott, D, Unverzagt, C, Moesch, H.-U, Essen, L.-O. | | Deposit date: | 2010-07-06 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural Basis of Flocculin-Mediated Social Behavior in Yeast
Proc.Natl.Acad.Sci.USA, 107, 2010
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4Y8L
 | | Yeast 20S proteasome in complex with Ac-APLL-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-APLL-ep, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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1NM9
 | | Crystal structure of recombinant human salivary amylase mutant W58A | | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase, ... | | Authors: | Ramasubbu, N, Ragunath, C, Mishra, P.J, Thomas, L.M. | | Deposit date: | 2003-01-09 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity.
Eur.J.Biochem., 271, 2004
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1KTL
 | | The human non-classical major histocompatibility complex molecule HLA-E | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA CHAIN, ... | | Authors: | Holmes, M.A, Strong, R.K. | | Deposit date: | 2002-01-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HLA-E allelic variants: Correlating differential expression, peptide affinities, crystal structures and thermal stabilities
J.Biol.Chem., 278, 2003
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1NPG
 | | MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITROSOETHANE | | Descriptor: | Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Copeland, D.M, West, A.H, Richter-Addo, G.B. | | Deposit date: | 2003-01-17 | | Release date: | 2003-11-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of ferrous horse heart myoglobin complexed with nitric oxide and nitrosoethane.
Proteins, 53, 2003
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4PCL
 | | X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion. | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | | Authors: | Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-04-15 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
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1KE9
 | | CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE | | Descriptor: | 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE, Cell division protein kinase 2 | | Authors: | Bramson, H.N, Corona, J, Davis, S.T, Dickerson, S.H, Edelstein, M, Frye, S.V, Gampe, R.T, Hassell, A.M, Shewchuk, L.M, Kuyper, L.F. | | Deposit date: | 2001-11-14 | | Release date: | 2002-05-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
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1NNY
 | | Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy | | Descriptor: | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R. | | Deposit date: | 2003-01-14 | | Release date: | 2003-04-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor
Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
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