2RHT
 
 | | Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3-Cl HOPDA | | Descriptor: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ... | | Authors: | Bhowmik, S, Bolin, J.T. | | Deposit date: | 2007-10-09 | | Release date: | 2007-11-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION.
J.Biol.Chem., 282, 2007
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5NJP
 | | Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 1s time-delay, phased with 1HEW | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | | Authors: | Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J. | | Deposit date: | 2017-03-29 | | Release date: | 2017-10-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
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2UDP
 | | UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHENYL-URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | | Deposit date: | 1997-03-08 | | Release date: | 1998-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution X-ray structure of UDP-galactose 4-epimerase complexed with UDP-phenol.
Protein Sci., 5, 1996
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5NNS
 | | Crystal structure of HiLPMO9B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, COPPER (II) ION, ... | | Authors: | Dimarogona, M, Sandgren, M. | | Deposit date: | 2017-04-10 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition.
FEBS J., 285, 2018
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5O6O
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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1S0A
 | | Crystal Structure of the Y17F Mutant of 7,8-Diaminopelargonic Acid Synthase | | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION | | Authors: | Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
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1SB1
 | | Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | | Descriptor: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ... | | Authors: | Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D. | | Deposit date: | 2004-02-09 | | Release date: | 2004-06-08 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
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1S09
 | | Crystal Structure of the Y144F Mutant of 7,8-Diaminopelargonic Acid Synthase | | Descriptor: | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, SODIUM ION | | Authors: | Sandmark, J, Eliot, A.C, Famm, K, Schneider, G, Kirsch, J.F. | | Deposit date: | 2003-12-30 | | Release date: | 2004-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Conserved and nonconserved residues in the substrate binding site of 7,8-diaminopelargonic acid synthase from Escherichia coli are essential for catalysis.
Biochemistry, 43, 2004
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5NSW
 | | Xenon for tunnelling analysis of the efflux pump component OprN. | | Descriptor: | Multidrug efflux outer membrane protein OprN, NICKEL (II) ION, PALMITIC ACID, ... | | Authors: | Phan, G, Prange, T, Enguene Ntsogo, Y.V, Garnier, C, Ducruix, A, Broutin, I. | | Deposit date: | 2017-04-27 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Xenon for tunnelling analysis of the efflux pump component OprN.
PLoS ONE, 12, 2017
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1S3X
 | | The crystal structure of the human Hsp70 ATPase domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Heat shock 70 kDa protein 1, ... | | Authors: | Sriram, M, Osipiuk, J, Freeman, B, Morimoto, R.I, Joachimiak, A. | | Deposit date: | 2004-01-14 | | Release date: | 2004-01-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Human Hsp70 molecular chaperone binds two calcium ions within the ATPase domain
Structure, 5, 1997
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5O6Z
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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1S36
 | | Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of the calcium trigger and the bioluminescence | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, ... | | Authors: | Deng, L, Markova, S.V, Vysotski, E.S, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-01-12 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of a Ca2+-discharged photoprotein: implications for mechanisms of the calcium trigger and bioluminescence
J.Biol.Chem., 279, 2004
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5O6X
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | (4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone, 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-07 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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2UUJ
 | | Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution | | Descriptor: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | Deposit date: | 2007-03-03 | | Release date: | 2007-09-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
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2VLA
 | | Crystal structure of restriction endonuclease BpuJI recognition domain in complex with cognate DNA | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5'-D(*GP*GP*TP*AP*CP*CP*CP*GP*TP*GP *GP*A)-3', 5'-D(*TP*CP*CP*AP*CP*GP*GP*GP*TP*AP *CP*C)-3', ... | | Authors: | Sukackaite, R, Grazulis, S, Bochtler, M, Siksnys, V. | | Deposit date: | 2008-01-11 | | Release date: | 2008-05-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Recognition Domain of the Bpuji Restriction Endonuclease in Complex with Cognate DNA at 1.3-A Resolution.
J.Mol.Biol., 378, 2008
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5O7C
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal quinoline based inhibitor | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Braun, F, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-06-08 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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5O43
 | | 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor. | | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, 2-fluoranyl-3-[6-[(4-fluoranyl-3-oxidanyl-phenyl)-methyl-amino]pyridin-2-yl]phenol, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Bertoletti, N, Heine, A, Braun, F, Klebe, G, Marchais-Oberwinkler, S. | | Deposit date: | 2017-05-25 | | Release date: | 2018-06-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.
Eur J Med Chem, 155, 2018
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2V1Q
 | | Atomic-resolution structure of the yeast Sla1 SH3 domain 3 | | Descriptor: | CHLORIDE ION, CYTOSKELETON ASSEMBLY CONTROL PROTEIN SLA1, PLATINUM (II) ION, ... | | Authors: | Kursula, I, Kursula, P, Zou, P, Lehmann, F, Song, Y.H, Wilmanns, M. | | Deposit date: | 2007-05-29 | | Release date: | 2008-06-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Genomics of Yeast SH3 Domains
To be Published
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2VKG
 | | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | | Descriptor: | CHLORIDE ION, DODECIN, MAGNESIUM ION, ... | | Authors: | Grininger, M, Noell, G, Trawoeger, S, Sinner, E, Oesterhelt, D. | | Deposit date: | 2007-12-19 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Electrochemical Switching of the Flavoprotein Dodecin at Gold Surfaces Modified by Flavin-DNA Hybrid Linkers
Biointerphases, 3, 2008
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2UYZ
 | | Non-covalent complex between Ubc9 and SUMO1 | | Descriptor: | SMALL UBIQUITIN-RELATED MODIFIER 1, SODIUM ION, SUMO-CONJUGATING ENZYME UBC9 | | Authors: | Knipscheer, P, van Dijk, W.J, Olsen, J.V, Mann, M, Sixma, T.K. | | Deposit date: | 2007-04-21 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Noncovalent interaction between Ubc9 and SUMO promotes SUMO chain formation.
EMBO J., 26, 2007
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1BPZ
 | | HUMAN DNA POLYMERASE BETA COMPLEXED WITH NICKED DNA | | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*G)-3'), DNA (5'-D(*GP*TP*CP*GP*G)-3'), ... | | Authors: | Sawaya, M.R, Prasad, R, Wilson, S.H, Kraut, J, Pelletier, H. | | Deposit date: | 1997-04-14 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with gapped and nicked DNA: evidence for an induced fit mechanism.
Biochemistry, 36, 1997
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1TY8
 | | Crystal structure of yeast ymx7, an ADP-ribose-1''-monophosphatase, complexed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Hypothetical 32.1 kDa protein in ADH3-RCA1 intergenic region, ... | | Authors: | Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2004-07-07 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | CRYSTAL STRUCTURE OF YEAST HYPOTHETICAL PROTEIN YMX7
To be Published
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1C1X
 | | L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE | | Descriptor: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, ISOPROPYL ALCOHOL, L-PHENYLALANINE DEHYDROGENASE, ... | | Authors: | Vanhooke, J.L, Thoden, J.B. | | Deposit date: | 1999-07-22 | | Release date: | 2000-08-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rhodococcus L-phenylalanine dehydrogenase: kinetics, mechanism, and structural basis for catalytic specificity.
Biochemistry, 39, 2000
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5O0P
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2VU1
 | | Biosynthetic thiolase from Z. ramigera. Complex of with O-pantheteine- 11-pivalate. | | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, PANTOTHENYL-AMINOETHANOL-11-PIVALIC ACID, SODIUM ION, ... | | Authors: | Kursula, P, Schmitz, W, Wierenga, R.K. | | Deposit date: | 2008-05-19 | | Release date: | 2008-10-28 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | The Sulfur Atoms of the Substrate Coa and the Catalytic Cysteine are Required for a Productive Mode of Substrate Binding in Bacterial Biosynthetic Thiolase, a Thioester-Dependent Enzyme.
FEBS J., 275, 2008
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