1U7Z
| Phosphopantothenoylcysteine synthetase from E. coli, 4'-phosphopantothenoyl-CMP complex | Descriptor: | Coenzyme A biosynthesis bifunctional protein coaBC, PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER | Authors: | Stanitzek, S, Augustin, M.A, Huber, R, Kupke, T, Steinbacher, S. | Deposit date: | 2004-08-04 | Release date: | 2004-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of CTP-Dependent Peptide Bond Formation in Coenzyme A Biosynthesis Catalyzed by Escherichia coli PPC Synthetase STRUCTURE, 12, 2004
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3JT4
| Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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5XYR
| Crystal structure of a serine protease from Streptococcus species | Descriptor: | CALCIUM ION, CHLORIDE ION, Chemokine protease C, ... | Authors: | Jobichen, C, Sivaraman, J. | Deposit date: | 2017-07-10 | Release date: | 2018-08-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of ScpC, a virulence protease fromStreptococcus pyogenes, reveals the functional domains and maturation mechanism. Biochem. J., 475, 2018
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3FE3
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1PTS
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7LWD
| Cryo-EM structure of the wild-type human serotonin transporter complexed with vilazodone, imipramine and 15B8 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE, 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxamide, ... | Authors: | Yang, D, Kalenderoglou, I.E, Gouaux, E, Coleman, J.A, Loland, C.J. | Deposit date: | 2021-03-01 | Release date: | 2021-08-11 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | The antidepressant drug vilazodone is an allosteric inhibitor of the serotonin transporter. Nat Commun, 12, 2021
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1KLK
| CRYSTAL STRUCTURE OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE TERNARY COMPLEX WITH PT653 AND NADPH | Descriptor: | Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-DIBENZ[B,F]AZEPINE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Rosowsky, A, Queener, S.F. | Deposit date: | 2001-12-12 | Release date: | 2002-12-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based enzyme inhibitor design: modeling studies and crystal structure analysis of Pneumocystis carinii dihydrofolate reductase ternary complex with PT653 and NADPH. Acta Crystallogr.,Sect.D, 58, 2002
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8HEV
| C12 portal in HCMV B-capsid | Descriptor: | Portal protein, Unknown peptide | Authors: | Li, Z, Yu, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus. Nat Commun, 14, 2023
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8HEU
| C12 portal in HCMV A-capsid | Descriptor: | Portal protein | Authors: | Li, Z, Yu, X. | Deposit date: | 2022-11-08 | Release date: | 2023-04-26 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus. Nat Commun, 14, 2023
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5N4S
| VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptophan (Compound 3) | Descriptor: | (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, Beta-lactamase VIM-2, FORMIC ACID, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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3KW8
| Two-domain laccase from Streptomyces coelicolor at 2.3 A resolution | Descriptor: | COPPER (II) ION, FE (III) ION, Putative copper oxidase, ... | Authors: | Skalova, T, Dohnalek, J, Kolenko, P, Duskova, J, Stepankova, A, Hasek, J, Ostergaard, L.H, Ostergaard, P.R. | Deposit date: | 2009-12-01 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 A Acta Crystallogr.,Sect.F, 67, 2011
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5N4T
| VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-L-tryptophan (Compound 4) | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid, BENZOIC ACID, Beta-lactamase VIM-2, ... | Authors: | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | Deposit date: | 2017-02-11 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition. Chem. Commun. (Camb.), 53, 2017
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8HEY
| One CVSC-binding penton vertex in HCMV B-capsid | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | Authors: | Li, Z, Yu, X. | Deposit date: | 2022-11-09 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus. Nat Commun, 14, 2023
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8HEX
| C5 portal vertex in HCMV B-capsid | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ... | Authors: | Li, Z, Yu, X. | Deposit date: | 2022-11-08 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus. Nat Commun, 14, 2023
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3G93
| Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole | Descriptor: | 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D. | Deposit date: | 2009-02-12 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning. Biochemistry, 48, 2009
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3JT8
| Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2009-09-11 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency. J.Am.Chem.Soc., 132, 2010
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3JRT
| Structure from the mobile metagenome of V. paracholerae: Integron cassette protein Vpc_cass2 | Descriptor: | Integron cassette protein Vpc_cass2 | Authors: | Harrop, S.J, Deshpande, C, Sureshan, V, Boucher, Y, Xu, X, Cui, H, Cuff, M, Edwards, A, Savchenko, A, Joachimiak, A, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-09-08 | Release date: | 2009-09-22 | Last modified: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Integron gene cassettes: a repository of novel protein folds with distinct interaction sites. Plos One, 8, 2013
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1QMR
| BIRCH POLLEN ALLERGEN BET V 1 MUTANT N28T, K32Q, E45S, P108G | Descriptor: | MAJOR POLLEN ALLERGEN BET V 1-A | Authors: | Henriksen, A, Holm, J.O, Spangfort, M.D, Gajhede, M. | Deposit date: | 1999-10-06 | Release date: | 2000-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Allergy vaccine engineering: epitope modulation of recombinant Bet v 1 reduces IgE binding but retains protein folding pattern for induction of protective blocking-antibody responses. J Immunol., 173, 2004
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8EQA
| Crystal structure of human anti-N1 neuraminidase 2H08 Fab | Descriptor: | 2H08 Fab heavy chain, 2H08 Fab light chain, ZINC ION | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2022-10-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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8EQC
| Crystal structure of human anti-N1 neuraminidase 3H03 Fab | Descriptor: | 3H03 Fab heavy chain, 3H03 Fab light chain, PHOSPHATE ION | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2022-10-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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3PKP
| Q83S Variant of S. Enterica RmlA with dATP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-11-11 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution. J.Biol.Chem., 286, 2011
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1MVS
| Analysis of Two Polymorphic Forms of a Pyrido[2,3-d]pyrimidine N9-C10 Reverse-Bridge Antifolate Binary Complex with Human Dihydrofolate Reductase | Descriptor: | 2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate Reductase, SULFATE ION | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W.A, Gangjee, A. | Deposit date: | 2002-09-26 | Release date: | 2003-04-01 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Analysis of two polymorphic forms of a pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolate binary complex with human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 59, 2003
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3PKQ
| Q83D Variant of S. Enterica RmlA with dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2010-11-11 | Release date: | 2011-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution. J.Biol.Chem., 286, 2011
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8I1V
| The asymmetric unit of P22 procapsid | Descriptor: | Major capsid protein, Scaffolding protein | Authors: | Xiao, H, Liu, H.R, Cheng, L.P. | Deposit date: | 2023-01-13 | Release date: | 2023-03-08 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures. Viruses, 15, 2023
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8I1T
| The asymmetric unit of P22 empty capsid | Descriptor: | Major capsid protein | Authors: | Xiao, H, Liu, H.R, Cheng, L.P. | Deposit date: | 2023-01-13 | Release date: | 2023-03-08 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Assembly and Capsid Expansion Mechanism of Bacteriophage P22 Revealed by High-Resolution Cryo-EM Structures. Viruses, 15, 2023
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