2WV8
 
 | | Complex of human dihydroorotate dehydrogenase with the inhibitor 221290 | | Descriptor: | 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ... | | Authors: | Walse, B, Svensson, B, Fritzson, I, Dahlberg, L, Wellmar, U, Al-Karadaghi, S. | | Deposit date: | 2009-10-15 | | Release date: | 2010-08-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of Human Dhodh by 4-Hydroxycoumarins, Fenamic Acids, and N-(Alkylcarbonyl)Anthranilic Acids Identified by Structure-Guided Fragment Selection.
Chemmedchem, 5, 2010
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3RPE
 | | 1.1 Angstrom Crystal Structure of Putative Modulator of Drug Activity (MdaB) from Yersinia pestis CO92. | | Descriptor: | DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, Modulator of drug activity B | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-04-26 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | 1.1 Angstrom Crystal Structure of Putative Modulator of Drug Activity (MdaB) from Yersinia pestis CO92.
TO BE PUBLISHED
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3VZ1
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3RYK
 | | 1.63 Angstrom resolution crystal structure of dTDP-4-dehydrorhamnose 3,5-epimerase (rfbC) from Bacillus anthracis str. Ames with TDP and PPi bound | | Descriptor: | PYROPHOSPHATE 2-, THYMIDINE-5'-DIPHOSPHATE, dTDP-4-dehydrorhamnose 3,5-epimerase | | Authors: | Halavaty, A.S, Kuhn, M, Minasov, G, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-05-11 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Structure of the Bacillus anthracis dTDP-L-rhamnose-biosynthetic enzyme dTDP-4-dehydrorhamnose 3,5-epimerase (RfbC).
Acta Crystallogr F Struct Biol Commun, 73, 2017
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3RU6
 | | 1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168 | | Descriptor: | CHLORIDE ION, IODIDE ION, Orotidine 5'-phosphate decarboxylase | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-05-04 | | Release date: | 2011-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase (pyrF) from Campylobacter jejuni subsp. jejuni NCTC 11168
To be Published
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3VQU
 | | CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide | | Descriptor: | 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Higashino, K, Okano, Y, Tadano, G, Tachibana, Y, Sato, Y, Inoue, M, Wada, T, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Tagashira, S, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Yamamoto, T, Higaki, M, Endoh, T, Ueda, K, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-03-30 | | Release date: | 2012-06-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Acs Med.Chem.Lett., 3, 2012
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3VI1
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3VUD
 | | Crystal structure of a cysteine-deficient mutant M1 in MAP kinase JNK1 | | Descriptor: | Mitogen-activated protein kinase 8, Peptide from C-Jun-amino-terminal kinase-interacting protein 1, SULFATE ION | | Authors: | Nakaniwa, T, Kinoshita, T, Inoue, T. | | Deposit date: | 2012-06-28 | | Release date: | 2013-02-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Seven cysteine-deficient mutants depict the interplay between thermal and chemical stabilities of individual cysteine residues in mitogen-activated protein kinase c-Jun N-terminal kinase 1
Biochemistry, 51, 2012
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3VZL
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2012-10-15 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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3VG4
 | | Cadmium derivative of human LFABP | | Descriptor: | CADMIUM ION, Fatty acid-binding protein, liver, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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7U8Y
 | | TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics | | Descriptor: | ALIZARIN RED, MANGANESE (II) ION, Three-prime repair exonuclease 1 | | Authors: | Hemphill, W.O, Harvey, S.E, Simpson, S.R, Smalley, T.L, Salsbury, F.R, Perrino, F.W, Hollis, T. | | Deposit date: | 2022-03-09 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics
to be published
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3SG1
 | | 2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis | | Descriptor: | TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 | | Authors: | Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-14 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 2.6 Angstrom Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (MurA1) from Bacillus anthracis.
TO BE PUBLISHED
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3T41
 | | 1.95 Angstrom Resolution Crystal Structure of Epidermin Leader Peptide Processing Serine Protease (EpiP) S393A Mutant from Staphylococcus aureus | | Descriptor: | CALCIUM ION, CHLORIDE ION, Epidermin leader peptide processing serine protease EpiP | | Authors: | Minasov, G, Kuhn, M, Ruan, J, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-25 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom Resolution Crystal Structure of Epidermin Leader Peptide Processing Serine Protease (EpiP) S393A Mutant from Staphylococcus aureus.
TO BE PUBLISHED
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3T4X
 | | Short chain dehydrogenase/reductase family oxidoreductase from Bacillus anthracis str. Ames Ancestor | | Descriptor: | Oxidoreductase, short chain dehydrogenase/reductase family | | Authors: | Filippova, E.V, Wawrzak, Z, Skarina, T, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-26 | | Release date: | 2011-08-17 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Short chain dehydrogenase/reductase family oxidoreductase from Bacillus anthracis str. 'Ames Ancestor'
To be Published
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3T4E
 | | 1.95 Angstrom Crystal Structure of Shikimate 5-dehydrogenase (AroE) from Salmonella enterica subsp. enterica serovar Typhimurium in Complex with NAD | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Quinate/shikimate dehydrogenase | | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-07-25 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom Crystal Structure of Shikimate 5-dehydrogenase (AroE) from Salmonella enterica subsp. enterica serovar Typhimurium in Complex with NAD.
TO BE PUBLISHED
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3TE9
 | | 1.8 Angstrom Resolution Crystal Structure of K135M Mutant of Transaldolase B (TalA) from Francisella tularensis in Complex with Fructose 6-phosphate | | Descriptor: | DI(HYDROXYETHYL)ETHER, FRUCTOSE -6-PHOSPHATE, PHOSPHATE ION, ... | | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-08-12 | | Release date: | 2011-08-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Adherence to Burgi-Dunitz stereochemical principles requires significant structural rearrangements in Schiff-base formation: insights from transaldolase complexes.
Acta Crystallogr.,Sect.D, 70, 2014
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3TFC
 | | 1.95 Angstrom crystal structure of a bifunctional 3-deoxy-7-phosphoheptulonate synthase/chorismate mutase (aroA) from Listeria monocytogenes EGD-e in complex with phosphoenolpyruvate | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Light, S.H, Minasov, G, Halavaty, A.S, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-08-15 | | Release date: | 2011-08-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural analysis of a 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with an N-terminal chorismate mutase-like regulatory domain.
Protein Sci., 21, 2012
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3R2Y
 | | MK2 kinase bound to Compound 1 | | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MALONATE ION, MAP kinase-activated protein kinase 2 | | Authors: | Oubrie, A, Leonard, P. | | Deposit date: | 2011-03-15 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure-based lead identification of ATP-competitive MK2 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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3ROH
 | | Crystal Structure of Leukotoxin (LukE) from Staphylococcus aureus subsp. aureus COL. | | Descriptor: | CHLORIDE ION, Leucotoxin LukEv, TRIETHYLENE GLYCOL | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-04-25 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr.,Sect.D, 72, 2016
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3SC6
 | | 2.65 Angstrom resolution crystal structure of dTDP-4-dehydrorhamnose reductase (rfbD) from Bacillus anthracis str. Ames in complex with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, dTDP-4-dehydrorhamnose reductase | | Authors: | Halavaty, A.S, Kuhn, M, Shuvalova, L, Minasov, G, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-07 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of the Bacillus anthracis dTDP-L-rhamnose-biosynthetic enzyme dTDP-4-dehydrorhamnose reductase (RfbD).
Acta Crystallogr F Struct Biol Commun, 73, 2017
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3SD7
 | | 1.7 Angstrom Resolution Crystal Structure of Putative Phosphatase from Clostridium difficile | | Descriptor: | CHLORIDE ION, GLYCEROL, Putative phosphatase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-08 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7 Angstrom Resolution Crystal Structure of Putative Phosphatase from Clostridium difficile.
TO BE PUBLISHED
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3SEF
 | | 2.4 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate and NADPH | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Shikimate 5-dehydrogenase | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-10 | | Release date: | 2011-07-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate and NADPH
To be Published
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3SLH
 | | 1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 1,2-ETHANEDIOL, 3-phosphoshikimate 1-carboxyvinyltransferase, ... | | Authors: | Light, S.H, Minasov, G, Filippova, E.V, Krishna, S.N, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-06-24 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.70 Angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase(AroA) from Coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
To be Published
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3TNL
 | | 1.45 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with Shikimate and NAD. | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-01 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | 1.45 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with Shikimate and NAD.
TO BE PUBLISHED
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3TOZ
 | | 2.2 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with NAD. | | Descriptor: | CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-09-06 | | Release date: | 2011-09-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2.2 Angstrom Crystal Structure of Shikimate 5-dehydrogenase from Listeria monocytogenes in Complex with NAD.
TO BE PUBLISHED
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