1WMB
 
 | | Crystal structure of NAD dependent D-3-hydroxybutylate dehydrogenase | | Descriptor: | CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION | | Authors: | Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T. | | Deposit date: | 2004-07-06 | | Release date: | 2005-09-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
J.Mol.Biol., 355, 2006
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2FAQ
 | | Crystal Structure of Pseudomonas aeruginosa LigD polymerase domain with ATP and Manganese | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Zhu, H, Nandakumar, J, Aniukwu, J, Wang, L.K, Glickman, M.S, Lima, C.D, Shuman, S. | | Deposit date: | 2005-12-07 | | Release date: | 2006-05-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Atomic structure and nonhomologous end-joining function of the polymerase component of bacterial DNA ligase D
Proc.Natl.Acad.Sci.USA, 103, 2006
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3S2V
 | | Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution | | Descriptor: | (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2011-05-17 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
J.Med.Chem., 54, 2011
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2R0T
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2F01
 | | Epi-biotin complex with core streptavidin | | Descriptor: | BIOTIN, EPI-BIOTIN, GLYCEROL, ... | | Authors: | Le Trong, I, Aubert, D.G, Thomas, N.R, Stenkamp, R.E. | | Deposit date: | 2005-11-10 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | The high-resolution structure of (+)-epi-biotin bound to streptavidin.
Acta Crystallogr.,Sect.D, 62, 2006
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3EKU
 | | Crystal Structure of Monomeric Actin bound to Cytochalasin D | | Descriptor: | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-15-yl acetate, ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, ... | | Authors: | Nair, U.B, Joel, P.B, Wan, Q, Lowey, S, Rould, M.A, Trybus, K.M. | | Deposit date: | 2008-09-19 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of monomeric actin bound to cytochalasin D.
J.Mol.Biol., 384, 2008
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1X1T
 | | Crystal Structure of D-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi Complexed with NAD+ | | Descriptor: | CACODYLATE ION, D(-)-3-hydroxybutyrate dehydrogenase, MAGNESIUM ION, ... | | Authors: | Ito, K, Nakajima, Y, Ichihara, E, Ogawa, K, Yoshimoto, T. | | Deposit date: | 2005-04-13 | | Release date: | 2006-01-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | d-3-Hydroxybutyrate Dehydrogenase from Pseudomonas fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme
J.Mol.Biol., 355, 2006
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3D2I
 | | Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-ethyl]-thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea | | Descriptor: | 1-(5-{2-[(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)amino]ethyl}-1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6 | | Authors: | Oslob, J.D, Yu, C, Romanowski, M.J. | | Deposit date: | 2008-05-08 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of Aurora-A-selective inhibitors
To be Published
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4AUT
 | | Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis | | Descriptor: | DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C. | | Deposit date: | 2012-05-21 | | Release date: | 2012-09-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Sci. Transl. Med., 4, 2012
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1PCK
 | | Aquifex aeolicus KDO8PS in complex with Z-methyl-PEP | | Descriptor: | 2-(PHOSPHONOOXY)BUTANOIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ... | | Authors: | Wang, J, Xu, X, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2003-05-16 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
DRUG DES.DISCOVERY, 18, 2003
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1PCW
 | | Aquifex aeolicus KDO8PS in complex with cadmium and APP, a bisubstrate inhibitor | | Descriptor: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION | | Authors: | Xu, X, Wang, J, Grison, C, Petek, S, Coutrot, P, Birck, M, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2003-05-17 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Based Design of Novel Inhibitors of 3-Deoxy-D-manno-octulosonate 8-Phosphate Synthase.
Drug DES.DISCOVERY, 18, 2003
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1TQJ
 | | Crystal structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 angstrom resolution | | Descriptor: | Ribulose-phosphate 3-epimerase | | Authors: | Wise, E.L, Akana, J, Gerlt, J.A, Rayment, I. | | Deposit date: | 2004-06-17 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of D-ribulose 5-phosphate 3-epimerase from Synechocystis to 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
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2ZE4
 | | Crystal structure of phospholipase D from streptomyces antibioticus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Phospholipase D | | Authors: | Suzuki, A, Kakuno, K, Saito, R, Iwasaki, Y, Yamane, T, Yamane, T. | | Deposit date: | 2007-12-05 | | Release date: | 2007-12-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of phospholipase D from streptomyces antibioticus
To be Published
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1PKF
 | | Crystal Structure of Epothilone D-bound Cytochrome P450epoK | | Descriptor: | EPOTHILONE D, PROTOPORPHYRIN IX CONTAINING FE, cytochrome p450EpoK | | Authors: | Nagano, S, Li, H, Shimizu, H, Nishida, C, Ogura, H, Ortiz de Montellano, P.R, Poulos, T.L. | | Deposit date: | 2003-06-05 | | Release date: | 2003-10-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Epothilone D-bound, Epothilone B-bound, and Substrate-free Forms of Cytochrome P450epoK
J.Biol.Chem., 278, 2003
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4LSQ
 | | Crystal structure of broadly and potently neutralizing antibody VRC-CH31 in complex with HIV-1 clade A/E gp120 93TH057 with LOOP D and Loop V5 from clade A strain 3415_v1_c1 | | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | | Authors: | Zhou, T, Moquin, S, Kwong, P.D. | | Deposit date: | 2013-07-23 | | Release date: | 2013-08-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Multidonor Analysis Reveals Structural Elements, Genetic Determinants, and Maturation Pathway for HIV-1 Neutralization by VRC01-Class Antibodies.
Immunity, 39, 2013
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139D
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1ZPH
 | | Crystal structure analysis of the minor groove binding quinolinium quaternary salt SN 8315 complexed with CGCGAATTCGCG | | Descriptor: | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | | Authors: | Adams, A, Leong, C, Denny, W.A, Guss, J.M. | | Deposit date: | 2005-05-16 | | Release date: | 2005-10-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of two minor-groove-binding quinolinium quaternary salts complexed with d(CGCGAATTCGCG)(2) at 1.6 and 1.8 Angstrom resolution.
Acta Crystallogr.,Sect.D, 61, 2005
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115D
 | | ORDERED WATER STRUCTURE IN AN A-DNA OCTAMER AT 1.7 ANGSTROMS RESOLUTION | | Descriptor: | DNA (5'-D(*GP*GP*(BRU)P*AP*(BRU)P*AP*CP*C)-3') | | Authors: | Kennard, O, Cruse, W.B.T, Nachman, J, Prange, T, Shakked, Z, Rabinovich, D. | | Deposit date: | 1993-02-12 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Ordered water structure in an A-DNA octamer at 1.7 A resolution.
J.Biomol.Struct.Dyn., 3, 1986
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4GWV
 | | Structure of racemic Pin1 WW domain cocrystallized with tri-ammonium citrate | | Descriptor: | CITRATE ANION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Mortenson, D.E, Yun, H.G, Gellman, S.H, Forest, K.T. | | Deposit date: | 2012-09-03 | | Release date: | 2013-10-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain.
Acta Crystallogr.,Sect.D, 69, 2013
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5F0E
 | | Murine endoplasmic reticulum alpha-glucosidase II | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | | Deposit date: | 2015-11-27 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3IF6
 | | Crystal structure of OXA-46 beta-lactamase from P. aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ... | | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S. | | Deposit date: | 2009-07-24 | | Release date: | 2010-03-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
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3FMS
 | | Crystal structure of TM0439, a GntR transcriptional regulator | | Descriptor: | ACETATE ION, NICKEL (II) ION, Transcriptional regulator, ... | | Authors: | Zheng, M, Cooper, D.R, Yu, M, Hung, L.-W, Derewenda, U, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI) | | Deposit date: | 2008-12-22 | | Release date: | 2009-02-10 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Thermotoga maritima TM0439: implications for the mechanism of bacterial GntR transcription regulators with Zn2+-binding FCD domains.
Acta Crystallogr.,Sect.D, 65, 2009
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3RLB
 | | Crystal structure at 2.0 A of the S-component for thiamin from an ECF-type ABC transporter | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, ThiT, nonyl beta-D-glucopyranoside | | Authors: | Erkens, G.B, Berntsson, R.P.-A, Fulyani, F, Majsnerowska, M, Vujicic-Zagar, A, ter Beek, J, Poolman, B, Slotboom, D.J. | | Deposit date: | 2011-04-19 | | Release date: | 2011-06-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structural basis of modularity in ECF-type ABC transporters.
Nat.Struct.Mol.Biol., 18, 2011
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7ERN
 | | Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3 | | Descriptor: | D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION | | Authors: | Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M. | | Deposit date: | 2021-05-06 | | Release date: | 2022-05-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
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1ZTT
 | | Netropsin bound to d(CTTAATTCGAATTAAG) in complex with MMLV RT catalytic fragment | | Descriptor: | 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', NETROPSIN, ... | | Authors: | Goodwin, K.D, Long, E.C, Georgiadis, M.M. | | Deposit date: | 2005-05-27 | | Release date: | 2005-08-30 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A host-guest approach for determining drug-DNA interactions: an example using netropsin.
Nucleic Acids Res., 33, 2005
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