4AJH
 
 | | rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid | | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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3UP8
 | | Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B | | Descriptor: | ACETATE ION, Putative 2,5-diketo-D-gluconic acid reductase B | | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-11-17 | | Release date: | 2011-12-14 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of a putative 2,5-diketo-D-gluconic acid reductase B
To be Published
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3V2H
 | | The crystal structure of D-beta-hydroxybutyrate dehydrogenase from Sinorhizobium meliloti | | Descriptor: | D-beta-hydroxybutyrate dehydrogenase | | Authors: | Zhang, Z, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-12 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of D-beta-hydroxybutyrate dehydrogenase from Sinorhizobium meliloti
To be Published
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3V4C
 | | Crystal structure of a semialdehyde dehydrogenase from Sinorhizobium meliloti 1021 | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Aldehyde dehydrogenase (NADP+) | | Authors: | Agarwal, R, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, LaFleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-14 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Crystal structure of a semialdehyde dehydrogenase from Sinorhizobium meliloti 1021
To be Published
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4OYH
 | | Structure of Bacillus subtilis MobB | | Descriptor: | Molybdopterin-guanine dinucleotide biosynthesis protein B, SULFATE ION | | Authors: | Kim, D, Choe, J. | | Deposit date: | 2014-02-12 | | Release date: | 2015-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.409 Å) | | Cite: | Bacillus subtilis MobB
To Be Published
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1L5X
 | | The 2.0-Angstrom resolution crystal structure of a survival protein E (SurE) homolog from Pyrobaculum aerophilum | | Descriptor: | ACETIC ACID, GLYCEROL, Survival protein E | | Authors: | Mura, C, Katz, J.E, Clarke, S.G, Eisenberg, D. | | Deposit date: | 2002-03-08 | | Release date: | 2003-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Function of an Archaeal Homolog of Survival
Protein E (SurE-alpha): An Acid Phosphatase with Purine
Nucleotide Specificity
J.Mol.Biol., 326, 2003
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6CGQ
 | | Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and PLP-Ala | | Descriptor: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Petronikolou, N, Nair, S.K. | | Deposit date: | 2018-02-20 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.019 Å) | | Cite: | Molecular Basis of Bacillus subtilis ATCC 6633 Self-Resistance to the Phosphono-oligopeptide Antibiotic Rhizocticin.
ACS Chem. Biol., 14, 2019
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1K0Z
 | | Crystal Structure of the PvuII endonuclease with Pr3+ and SO4 ions bound in the active site at 2.05A. | | Descriptor: | PRASEODYMIUM ION, SULFATE ION, Type II restriction enzyme PvuII | | Authors: | Spyridaki, A, Athanasiadis, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A. | | Deposit date: | 2001-09-21 | | Release date: | 2003-06-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: |
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1JLC
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 | | Descriptor: | HIV-1 RT A-chain, HIV-1 RT B-chain, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JKH
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-12 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JLG
 | | CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-03 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JPZ
 | | Crystal structure of a complex of the heme domain of P450BM-3 with N-Palmitoylglycine | | Descriptor: | BIFUNCTIONAL P-450:NADPH-P450 REDUCTASE, N-PALMITOYLGLYCINE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Haines, D.C, Tomchick, D.R, Machius, M, Peterson, J.A. | | Deposit date: | 2001-08-03 | | Release date: | 2001-11-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Pivotal role of water in the mechanism of P450BM-3.
Biochemistry, 40, 2001
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4AJI
 | | rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid | | Descriptor: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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1LWE
 | | CRYSTAL STRUCTURE OF M41L/T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMN) IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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4TYH
 | | Ternary complex of P38 and MK2 with a P38 inhibitor | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | | Authors: | Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. | | Deposit date: | 2014-07-08 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors
To Be Published
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1LWC
 | | CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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1LW2
 | | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91 | | Descriptor: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-30 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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3ET3
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1LWF
 | | CRYSTAL STRUCTURE OF A MUTANT HIV-1 REVERSE TRANSCRIPTASE (RTMQ+M184V: M41L/D67N/K70R/M184V/T215Y) IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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1LW0
 | | CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-30 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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1W5I
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5DR1
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6QXD
 | | Crystal Structure of tyrosinase from Bacillus megaterium with JKB inhibitor in the active site. | | Descriptor: | (2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone, COPPER (II) ION, Tyrosinase | | Authors: | Deri Zenaty, B, Gitto, R, Pazy, Y, Fishman, A. | | Deposit date: | 2019-03-07 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.317 Å) | | Cite: | Exploiting the 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile.
Eur.J.Med.Chem., 178, 2019
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4JOT
 | | Crystal structure of enoyl-CoA hydrotase from Deinococcus radiodurans R1 | | Descriptor: | Enoyl-CoA hydratase, putative, GLYCEROL | | Authors: | Eswaramoorthy, S, Chamala, S, Evans, B, Foti, F, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-18 | | Release date: | 2013-04-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of enoyl-CoA hydrotase from Deinococcus radiodurans R1
To be Published
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5DR0
 | | Endothiapepsin in complex with fragment 203 | | Descriptor: | 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2015-09-15 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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