1Z5N
 
 | | Crystal structure of MTA/AdoHcy nucleosidase Glu12Gln mutant complexed with 5-methylthioribose and adenine | | Descriptor: | 5-S-methyl-5-thio-alpha-D-ribofuranose, ADENINE, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2005-03-18 | | Release date: | 2005-10-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis
J.Mol.Biol., 352, 2005
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3S1D
 | | Glu381Ser mutant of maize cytokinin oxidase/dehydrogenase complexed with N6-isopentenyladenosine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokinin dehydrogenase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kopecny, D, Briozzo, P, Morera, S. | | Deposit date: | 2011-05-15 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site.
Febs J., 283, 2016
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4D0Z
 | | GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset) | | Descriptor: | (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ... | | Authors: | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | Deposit date: | 2014-04-30 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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1LEE
 | | CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367 | | Descriptor: | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-09 | | Release date: | 2002-10-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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3SBK
 | | Russell's viper venom serine proteinase, RVV-V (PPACK-bound form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Vipera russelli proteinase RVV-V gamma | | Authors: | Nakayama, D, Ben Ammar, Y, Takeda, S. | | Deposit date: | 2011-06-05 | | Release date: | 2011-09-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis of coagulation factor V recognition for cleavage by RVV-V
Febs Lett., 585, 2011
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4CZA
 | | Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii with bound thallium ion. | | Descriptor: | ACETATE ION, NA+/H+ ANTIPORTER, PUTATIVE, ... | | Authors: | Woehlert, D, Kuhlbrandt, W, Yildiz, O. | | Deposit date: | 2014-04-16 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure and substrate ion binding in the sodium/proton antiporter PaNhaP.
Elife, 3, 2014
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1QP5
 | | BASE-PAIRING SHIFT IN A DODECAMER CONTAINING A (CA)N TRACT | | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*GP*CP*GP*CP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*GP*CP*GP*CP*CP*GP*GP*T)-3'), MAGNESIUM ION | | Authors: | Timsit, Y, Vilbois, E, Moras, D. | | Deposit date: | 1999-06-01 | | Release date: | 1999-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Base-pairing shift in the major groove of (CA)n tracts by B-DNA crystal structures.
Nature, 354, 1991
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4HYP
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | | Descriptor: | DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide | | Authors: | Bensen, D.C, Creighton, C.J, Tari, L.W. | | Deposit date: | 2012-11-13 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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1ZJ5
 | | Crystal Structure Analysis of the dienelactone hydrolase mutant (E36D, C123S, A134S, S208G, A229V, K234R) bound with the PMS moiety of the protease inhibitor, Phenylmethylsulfonyl fluoride (PMSF)- 1.7 A | | Descriptor: | Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION | | Authors: | Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L. | | Deposit date: | 2005-04-28 | | Release date: | 2005-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
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4HZ5
 | | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity | | Descriptor: | 6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde, DNA topoisomerase IV, B subunit | | Authors: | Bensen, D.C, Creighton, C.J, Tari, L.W. | | Deposit date: | 2012-11-14 | | Release date: | 2013-02-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
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1BK4
 | | CRYSTAL STRUCTURE OF RABBIT LIVER FRUCTOSE-1,6-BISPHOSPHATASE AT 2.3 ANGSTROM RESOLUTION | | Descriptor: | MAGNESIUM ION, PROTEIN (FRUCTOSE-1,6-BISPHOSPHATASE), SULFATE ION | | Authors: | Ghosh, D, Weeks, C.M, Erman, M, Roszak, A.W, Kaiser, R, Jornvall, H. | | Deposit date: | 1998-07-14 | | Release date: | 1998-07-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of rabbit liver fructose 1,6-bisphosphatase at 2.3 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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1KZD
 | | Complex of MBP-C and GlcNAc-terminated core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANNOSE-BINDING PROTEIN C | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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1C0I
 | | CRYSTAL STRUCTURE OF D-AMINO ACID OXIDASE IN COMPLEX WITH TWO ANTHRANYLATE MOLECULES | | Descriptor: | 2-AMINOBENZOIC ACID, D-AMINO ACID OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Pollegioni, L, Diederichs, K, Molla, G, Umhau, S, Welte, W, Ghisla, S, Pilone, M.S. | | Deposit date: | 1999-07-16 | | Release date: | 2002-02-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Yeast d-amino Acid oxidase: structural basis of its catalytic properties
J.Mol.Biol., 324, 2002
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4EWP
 | | Crystal structure of FabH from Micrococcus luteus | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | | Authors: | Pereira, J.H, Goh, E.-B, Keasling, J.D, Beller, H.R, Adams, P.D. | | Deposit date: | 2012-04-27 | | Release date: | 2012-10-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure of FabH and factors affecting the distribution of branched fatty acids in Micrococcus luteus.
Acta Crystallogr.,Sect.D, 68, 2012
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3TGR
 | | Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3A0D
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1LK2
 | | 1.35A crystal structure of H-2Kb complexed with the GNYSFYAL peptide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Luz, J.G, Rudolph, M.G, Wilson, I.A, Eisen, H. | | Deposit date: | 2002-04-23 | | Release date: | 2003-11-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A peptide that antagonizes TCR-mediated reactions with both syngeneic and allogeneic agonists: functional and structural aspects.
J.Immunol., 172, 2004
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1G8N
 | | MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG):5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*(UFR)P*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Tsunoda, M, Karino, N, Ueno, Y, Matsuda, A, Takenaka, A. | | Deposit date: | 2000-11-20 | | Release date: | 2001-02-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystallization and preliminary X-ray analysis of a DNA dodecamer containing 2'-deoxy-5-formyluridine; what is the role of magnesium cation in crystallization of Dickerson-type DNA dodecamers?
Acta Crystallogr.,Sect.D, 57, 2001
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3TGT
 | | Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1ZIC
 | | Crystal Structure Analysis of the dienelactone hydrolase (C123S, R206A) mutant- 1.7 A | | Descriptor: | Carboxymethylenebutenolidase, GLYCEROL, SULFATE ION | | Authors: | Kim, H.-K, Liu, J.-W, Carr, P.D, Ollis, D.L. | | Deposit date: | 2005-04-27 | | Release date: | 2005-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Following directed evolution with crystallography: structural changes observed in changing the substrate specificity of dienelactone hydrolase.
Acta Crystallogr.,Sect.D, 61, 2005
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5ZVJ
 | | Crystal structure of HtrA1 from Mycobacterium tuberculosis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Serine protease | | Authors: | Khundrakpam, H.S, Yadav, S, Kumar, D, Biswal, B.K. | | Deposit date: | 2018-05-10 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of an essential high-temperature requirement protein HtrA1 (Rv1223) from Mycobacterium tuberculosis reveals its unique features.
Acta Crystallogr D Struct Biol, 74, 2018
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382D
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3W78
 | | Crystal Structure of azoreductase AzrC in complex with NAD(P)-inhibitor Cibacron Blue | | Descriptor: | CIBACRON BLUE, FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase | | Authors: | Yu, J, Ogata, D, Ooi, T, Yao, M. | | Deposit date: | 2013-02-27 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
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4J3F
 | | Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold. | | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | | Deposit date: | 2013-02-05 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
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1P7G
 | | Crystal structure of superoxide dismutase from Pyrobaculum aerophilum | | Descriptor: | ACETATE ION, BETA-MERCAPTOETHANOL, Superoxide dismutase | | Authors: | Lee, S, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2003-05-01 | | Release date: | 2003-12-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of superoxide dismutase from Pyrobaculum aerophilum presents a challenging case in molecular replacement with multiple molecules, pseudo-symmetry and twinning.
Acta Crystallogr.,Sect.D, 59, 2003
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