2GDE
 
 | | Thrombin in complex with inhibitor | | Descriptor: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ... | | Authors: | Xue, Y. | | Deposit date: | 2006-03-16 | | Release date: | 2007-03-20 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Total synthesis and structural confirmation of chlorodysinosin A.
J.Am.Chem.Soc., 128, 2006
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2GG5
 | | Novel bacterial methionine aminopeptidase inhibitors | | Descriptor: | 5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE, COBALT (II) ION, Methionine aminopeptidase, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | Deposit date: | 2006-03-23 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors.
Proteins, 66, 2007
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2GG9
 | | Novel bacterial methionine aminopeptidase inhibitors | | Descriptor: | COBALT (II) ION, METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE, Methionine aminopeptidase, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | | Deposit date: | 2006-03-23 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors.
Proteins, 66, 2007
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2GKP
 | | Protein of Unknown Function NMB0488 from Neisseria meningitidis | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, SODIUM ION, ... | | Authors: | Osipiuk, J, Volkart, L, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-04-03 | | Release date: | 2006-05-02 | | Last modified: | 2021-03-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | X-ray crystal structure of hypothetical protein NMB0488 from Neisseria meningitidis.
To be Published
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2GL3
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2GVK
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2HC9
 | | Structure of Caenorhabditis elegans leucine aminopeptidase-zinc complex (LAP1) | | Descriptor: | BICARBONATE ION, GLYCEROL, Leucine aminopeptidase 1, ... | | Authors: | Zhan, C, Patskovsky, Y, Wengerter, B.C, Ramagopal, U, Milstein, S, Vidal, M, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-06-15 | | Release date: | 2006-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure and Function of Caenorhabditis Elegans Leucine Aminopeptidase
To be Published
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2GJR
 | | Structure of bacillus halmapalus alpha-amylase without any substrate analogues | | Descriptor: | ACETATE ION, CALCIUM ION, SODIUM ION, ... | | Authors: | Lyhne-Iversen, L, Hobley, T.J, Kaasgaard, S.G, Harris, P. | | Deposit date: | 2006-03-31 | | Release date: | 2006-09-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of Bacillus halmapalus alpha-amylase crystallized with and without the substrate analogue acarbose and maltose.
Acta Crystallogr.,Sect.F, 62, 2006
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2H4V
 | | Crystal Structure of the Human Tyrosine Receptor Phosphatase Gamma | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Das, S, Eswaran, J, Savitsky, P, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Debreczeni, J, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-25 | | Release date: | 2006-07-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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2GKO
 | | S41 Psychrophilic Protease | | Descriptor: | CALCIUM ION, SODIUM ION, microbial serine proteinases; subtilisin, ... | | Authors: | Walter, R.L, Mekel, M.J, Grayling, R.A, Arnold, F.H, Wintrode, P.L, Almog, O. | | Deposit date: | 2006-04-03 | | Release date: | 2007-05-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The crystal structures of the psychrophilic subtilisin S41 and the mesophilic subtilisin Sph reveal the same calcium-loaded state.
Proteins, 74, 2009
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2GN1
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5OK2
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6T89
 | | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | | Authors: | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | Deposit date: | 2019-10-24 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
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6TKL
 | | Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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6GVR
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5L7I
 | | Structure of human Smoothened in complex with Vismodegib | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
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6TKI
 | | Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | | Deposit date: | 2019-11-28 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates.
Cell Chem Biol, 28, 2021
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5OHI
 | | Crystal structure of autotaxin in complex with BI-2545 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ... | | Authors: | Hoerer, S. | | Deposit date: | 2017-07-17 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
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6T56
 | | Thrombin in Complex with Benzylamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZYLAMINE, GLYCEROL, ... | | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | Deposit date: | 2019-10-15 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Thrombin in Complex with Benzylamine
To Be Published
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6T99
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5OLB
 | | crystal structure of autotaxin in complex with PF-8380 | | Descriptor: | (3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Hoerer, S, Lammens, A. | | Deposit date: | 2017-07-27 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
ACS Med Chem Lett, 8, 2017
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6GRE
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5DLW
 | | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA) | | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ... | | Authors: | Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A. | | Deposit date: | 2015-09-07 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling.
Nat Commun, 7, 2016
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5KWS
 | | Crystal Structure of Galactose Binding Protein from Yersinia pestis in the Complex with beta D Glucose | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-19 | | Release date: | 2016-08-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.316 Å) | | Cite: | Crystal Structure of Galactose Binding Protein from Yersinia pestis in the Complex with beta D Glucose
To Be Published
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6TSN
 | | Marasmius oreades agglutinin (MOA), papain back.swap W208Q-Q276W variant | | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | | Authors: | Cordara, G, Manna, D, Krengel, U. | | Deposit date: | 2019-12-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti .
Curr Res Struct Biol, 2, 2020
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