2V11
 
 | | Crystal Structure of Renin with Inhibitor 6 | | Descriptor: | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN | | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | | Deposit date: | 2007-05-21 | | Release date: | 2007-07-03 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin
Chem.Biol., 7, 2000
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4ZAH
 | | Crystal structure of sugar aminotransferase WecE with External Aldimine VII from Escherichia coli K-12 | | Descriptor: | [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-5-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate, dTDP-4-amino-4,6-dideoxygalactose transaminase | | Authors: | Wang, F, Singh, S, Cao, H, Xu, W, Miller, M.D, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-04-13 | | Release date: | 2015-04-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases.
Acs Chem.Biol., 10, 2015
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4YY9
 | | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | | Deposit date: | 2015-03-23 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution
To Be Published
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7MMN
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4Z0L
 | | The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative | | Descriptor: | (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. | | Deposit date: | 2015-03-26 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2.
Chemmedchem, 11, 2016
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2VSI
 | | Synthesis of CDP-activated ribitol for teichoic acid precursors in Streptococcus pneumoniae | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, 4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE, CALCIUM ION | | Authors: | Baur, S, Marles-Wright, J, Buckenmaier, S, Lewis, R.J, Vollmer, W. | | Deposit date: | 2008-04-23 | | Release date: | 2008-12-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Synthesis of Cdp-Activated Ribitol for Teichoic Acid Precursors in Streptococcus Pneumoniae.
J.Bacteriol., 191, 2009
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6IOA
 | | The structure of UdgX in complex with uracil | | Descriptor: | IRON/SULFUR CLUSTER, Phage SPO1 DNA polymerase-related protein, SULFATE ION, ... | | Authors: | Xie, W, Tu, J. | | Deposit date: | 2018-10-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Suicide inactivation of the uracil DNA glycosylase UdgX by covalent complex formation.
Nat.Chem.Biol., 15, 2019
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4YY7
 | | The structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013) in complex with avian receptor analog 3'SLNLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | | Deposit date: | 2015-03-23 | | Release date: | 2016-03-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/chicken/Taiwan/A2837/2013)
To Be Published
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7MWX
 | | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ... | | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | Deposit date: | 2021-05-17 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.32 Å) | | Cite: | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
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7MWS
 | | Crystal structure of tamarin CD81 large extracellular loop | | Descriptor: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | Deposit date: | 2021-05-17 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
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2W36
 | | Structures of endonuclease V with DNA reveal initiation of deaminated adenine repair | | Descriptor: | 5'-D(*CP*GP*AP*TP*CP*TP*GP*TP*AP*GP*CP)-3', 5'-D(*GP*CP*BRUP*AP*CP*IP*GP*AP*BRUP*CP*GP)-3', ENDONUCLEASE V | | Authors: | Dalhus, B, Arvai, A.S, Rosnes, I, Olsen, O.E, Backe, P.H, Alseth, I, Gao, H, Cao, W, Tainer, J.A, Bjoras, M. | | Deposit date: | 2008-11-06 | | Release date: | 2009-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of Endonuclease V with DNA Reveal Initiation of Deaminated Adenine Repair.
Nat.Struct.Mol.Biol., 16, 2009
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4Z9X
 | | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus pyogenes | | Descriptor: | Gluconate 5-dehydrogenase | | Authors: | Maruyama, Y, Takase, R, Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2015-04-13 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural determinants in bacterial 2-keto-3-deoxy-D-gluconate dehydrogenase KduD for dual-coenzyme specificity
Proteins, 84, 2016
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7MWW
 | | Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ... | | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | | Deposit date: | 2021-05-17 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
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6IOC
 | | The structure of the H109Q mutant of UdgX in complex with uracil | | Descriptor: | IRON/SULFUR CLUSTER, Phage SPO1 DNA polymerase-related protein, URACIL | | Authors: | Xie, W, Tu, J. | | Deposit date: | 2018-10-29 | | Release date: | 2019-07-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.624 Å) | | Cite: | Suicide inactivation of the uracil DNA glycosylase UdgX by covalent complex formation.
Nat.Chem.Biol., 15, 2019
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4Z0B
 | | Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site | | Descriptor: | PHOSPHATE ION, antibody heavy chain, antibody light chain | | Authors: | He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S. | | Deposit date: | 2015-03-26 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
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7MBP
 | | Cryo-EM structure of zebrafish TRPM5 in the presence of 1 mM EDTA | | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
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6IOD
 | | The structure of UdgX in complex with single-stranded DNA | | Descriptor: | DNA, IRON/SULFUR CLUSTER, Phage SPO1 DNA polymerase-related protein | | Authors: | Xie, W, Tu, J. | | Deposit date: | 2018-10-29 | | Release date: | 2019-07-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Suicide inactivation of the uracil DNA glycosylase UdgX by covalent complex formation.
Nat.Chem.Biol., 15, 2019
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1EZT
 | | HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR | | Descriptor: | REGULATOR OF G-PROTEIN SIGNALING 4 | | Authors: | Moy, F.J, Chanda, P.K, Cockett, M.I, Edris, W, Jones, P.G, Mason, K, Semus, S, Powers, R. | | Deposit date: | 2000-05-11 | | Release date: | 2001-01-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha.
Biochemistry, 39, 2000
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2VY9
 | | Molecular architecture of the stressosome, a signal integration and transduction hub | | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST | | Authors: | Marles-Wright, J, Grant, T, Delumeau, O, van Duinen, G, Firbank, S.J, Lewis, P.J, Murray, J.W, Newman, J.A, Quin, M.B, Race, P.R, Rohou, A, Tichelaar, W, van Heel, M, Lewis, R.J. | | Deposit date: | 2008-07-21 | | Release date: | 2008-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Architecture of the "Stressosome," a Signal Integration and Transduction Hub
Science, 322, 2008
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1EZY
 | | HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR | | Descriptor: | REGULATOR OF G-PROTEIN SIGNALING 4 | | Authors: | Moy, F.J, Chanda, P.K, Cockett, M.I, Edris, W, Jones, P.G, Mason, K, Semus, S, Powers, R. | | Deposit date: | 2000-05-12 | | Release date: | 2001-01-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha.
Biochemistry, 39, 2000
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2V0G
 | | LEUCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS COMPLEXED WITH A tRNA(leu) transcript with 5-FLUORO-1,3-DIHYDRO-1-HYDROXY-2,1- BENZOXABOROLE (AN2690) forming an adduct to the ribose of adenosine- 76 in the enzyme editing site. | | Descriptor: | AMINOACYL-TRNA SYNTHETASE, LEUCINE, MERCURY (II) ION, ... | | Authors: | Rock, F, Mao, W, Yaremchuk, A, Tukalo, M, Crepin, T, Zhou, H, Zhang, Y, Hernandez, V, Akama, T, Baker, S, Plattner, J, Shapiro, L, Martinis, S.A, Benkovic, S.J, Cusack, S, Alley, M.R.K. | | Deposit date: | 2007-05-14 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | An Antifungal Agent Inhibits an Aminoacyl-tRNA Synthetase by Trapping tRNA in the Editing Site.
Science, 316, 2007
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4YYB
 | | The structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) in complex with human receptor analog 6'SLNLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, HA2, ... | | Authors: | Wang, F, Qi, J, Bi, Y, Zhang, W, Wang, M, Wang, M, Liu, J, Yan, J, Shi, Y, Gao, G.F. | | Deposit date: | 2015-03-23 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.609 Å) | | Cite: | Structure of hemagglutinin from a H6N1 influenza virus (A/Taiwan/2/2013) at 2.6 Angstroms resolution
To Be Published
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4Z0P
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADPH and oxalate | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Porebski, P.J, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2015-03-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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2VAU
 | | Isopenicillin N synthase with substrate analogue ACOMP (unexposed) | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-2-OXO-1-(SULFANYLMETHYL)ETHYL]-6-OXO-L-LYSINE | | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2007-09-04 | | Release date: | 2008-07-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isopenicillin N Synthase Mediates Thiolate Oxidation to Sulfenate in a Depsipeptide Substrate Analogue: Implications for Oxygen Binding and a Link to Nitrile Hydratase?
J.Am.Chem.Soc., 130, 2008
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4Z9M
 | | Crystal structure of human sarcomeric mitochondrial creatine kinase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Creatine kinase S-type, mitochondrial, ... | | Authors: | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-04-10 | | Release date: | 2015-04-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human sarcomeric mitochondrial creatine kinase
To Be Published
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