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4QR8
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Crystal Structure of E coli pepQ
Descriptor: MAGNESIUM ION, Xaa-Pro dipeptidase
Authors:Pingwei, L.
Deposit date:2014-06-30
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural basis of substrate selectivity of E. coli prolidase.
Plos One, 9, 2014
1Q0H
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Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ...
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-16
Release date:2004-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
4R9M
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BU of 4r9m by Molmil
Crystal structure of spermidine N-acetyltransferase from Escherichia coli
Descriptor: MAGNESIUM ION, Spermidine N(1)-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Grimshaw, S, Wolfe, A.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-09-05
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
Acta Crystallogr D Struct Biol, 75, 2019
1Q39
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BU of 1q39 by Molmil
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The WT enzyme at 2.8 resolution.
Descriptor: CALCIUM ION, Endonuclease VIII, ZINC ION
Authors:Golan, G, Zharkov, D.O, Feinberg, H, Fernandes, A.S, Zaika, E.I, Kycia, J.H, Grollman, A.P, Shoham, G.
Deposit date:2003-07-29
Release date:2004-08-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the uncomplexed DNA repair enzyme endonuclease VIII indicates significant interdomain flexibility.
Nucleic Acids Res., 33, 2005
4H2J
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BU of 4h2j by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1354
Descriptor: N~4~-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N~1~-[4-(1H-imidazol-2-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-12
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
2KGD
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BU of 2kgd by Molmil
NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2OZ7
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BU of 2oz7 by Molmil
Crystal structure of the human androgen receptor T877A mutant ligand-binding domain with cyproterone acetate
Descriptor: Androgen receptor, CYPROTERONE ACETATE
Authors:Bohl, C.E, Wu, Z, Miller, D.D, Bell, C.E, Dalton, J.T.
Deposit date:2007-02-25
Release date:2007-03-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the T877A human androgen receptor ligand-binding domain complexed to cyproterone acetate provides insight for ligand-induced conformational changes and structure-based drug design.
J.Biol.Chem., 282, 2007
1IBK
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BU of 1ibk by Molmil
STRUCTURE OF THE THERMUS THERMOPHILUS 30S RIBOSOMAL SUBUNIT IN COMPLEX WITH THE ANTIBIOTIC PAROMOMYCIN
Descriptor: 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
Authors:Ogle, J.M, Brodersen, D.E, Clemons Jr, W.M, Tarry, M.J, Carter, A.P, Ramakrishnan, V.
Deposit date:2001-03-28
Release date:2001-05-04
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Recognition of cognate transfer RNA by the 30S ribosomal subunit.
Science, 292, 2001
4RFN
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BU of 4rfn by Molmil
Crystal structure of ADCC-potent Rhesus macaque ANTIBODY JR4 in complex with HIV-1 CLADE A/E GP120 and M48
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB HEAVY CHAIN OF ADCC ANTI-HIV-1 ANTIBODY JR4, FAB LIGHT CHAIN OF ADCC ANTI-HIV-1 ANTIBODY JR4, ...
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2014-09-26
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Cocrystal Structures of Antibody N60-i3 and Antibody JR4 in Complex with gp120 Define More Cluster A Epitopes Involved in Effective Antibody-Dependent Effector Function against HIV-1.
J.Virol., 89, 2015
1D6Z
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BU of 1d6z by Molmil
CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DETERMINING CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE OXIDASE.
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, COPPER (II) ION, ...
Authors:Wilmot, C.M, Hajdu, J, McPherson, M.J, Knowles, P.F, Phillips, S.E.V.
Deposit date:1999-10-16
Release date:2000-02-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Visualization of dioxygen bound to copper during enzyme catalysis.
Science, 286, 1999
1PNK
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BU of 1pnk by Molmil
PENICILLIN ACYLASE HAS A SINGLE-AMINO-ACID CATALYTIC CENTRE
Descriptor: CALCIUM ION, PENICILLIN AMIDOHYDROLASE
Authors:Duggleby, H.J, Moody, P.C.E.
Deposit date:1995-03-16
Release date:1996-03-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Penicillin acylase has a single-amino-acid catalytic centre.
Nature, 373, 1995
3ZJ4
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BU of 3zj4 by Molmil
Neurospora Crassa Catalase-3 expressed in E. coli, triclinic form.
Descriptor: CATALASE-3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Zarate-Romero, A, Rudino-Pinera, E.
Deposit date:2013-01-17
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.098 Å)
Cite:Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
1I5O
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BU of 1i5o by Molmil
CRYSTAL STRUCTURE OF MUTANT R105A OF E. COLI ASPARTATE TRANSCARBAMOYLASE
Descriptor: ASPARTATE TRANSCARBAMOYLASE CATALYTIC CHAIN, ASPARTATE TRANSCARBAMOYLASE REGULATORY CHAIN, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Macol, C.P, Tsuruta, H, Stec, B, Kantrowitz, E.R.
Deposit date:2001-02-28
Release date:2001-05-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Direct structural evidence for a concerted allosteric transition in Escherichia coli aspartate transcarbamoylase.
Nat.Struct.Biol., 8, 2001
3AX7
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BU of 3ax7 by Molmil
Bovine Xanthine Oxidase, protease cleaved form
Descriptor: 2-HYDROXYBENZOIC ACID, BICARBONATE ION, CALCIUM ION, ...
Authors:Ishikita, H, Eger, B.T, Pai, E.F, Okamoto, K, Nishino, T.
Deposit date:2011-03-30
Release date:2012-02-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Protein conformational gating of enzymatic activity in xanthine oxidoreductase
J.Am.Chem.Soc., 134, 2012
3AX9
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BU of 3ax9 by Molmil
Bovine xanthine oxidase, protease cleaved form
Descriptor: 2-HYDROXYBENZOIC ACID, BICARBONATE ION, CALCIUM ION, ...
Authors:Ishikita, H, Eger, B.T, Pai, E.F, Okamoto, K, Nishino, T.
Deposit date:2011-03-31
Release date:2012-02-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein conformational gating of enzymatic activity in xanthine oxidoreductase
J.Am.Chem.Soc., 134, 2012
3ZJ5
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BU of 3zj5 by Molmil
NEUROSPORA CRASSA CATALASE-3 EXPRESSED IN E. COLI, ORTHORHOMBIC FORM.
Descriptor: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, CATALASE-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E.
Deposit date:2013-01-17
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
4GON
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BU of 4gon by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Indole Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl][2-(1H-indol-3-yl)ethyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
4H2O
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Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1248
Descriptor: 2-{[3-(decyloxy)benzoyl]amino}-5-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7KWT
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BU of 7kwt by Molmil
X-ray Crystal Structure of PlyCB Mutant Y28H
Descriptor: PlyCB
Authors:Williams, D.E, Broendum, S.S, Hayes, B.K, Drinkwater, N, McGowan, S.
Deposit date:2020-12-02
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus.
Mol.Microbiol., 116, 2021
3B4N
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BU of 3b4n by Molmil
Crystal Structure Analysis of Pectate Lyase PelI from Erwinia chrysanthemi
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Endo-pectate lyase, ...
Authors:Creze, C, Castang, S, Derivery, E, Haser, R, Shevchik, V, Gouet, P.
Deposit date:2007-10-24
Release date:2008-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Crystal Structure of Pectate Lyase PelI from Soft Rot Pathogen Erwinia chrysanthemi in Complex with Its Substrate.
J.Biol.Chem., 283, 2008
4JRQ
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BU of 4jrq by Molmil
Crystal structure of E. coli Exonuclease I in complex with a 5cy-dA13 oligonucleotide
Descriptor: 5cy-dA13, Exodeoxyribonuclease I, SULFATE ION
Authors:Bell, C.E.
Deposit date:2013-03-21
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of Escherichia coli exonuclease I in complex with single-stranded DNA provide insights into the mechanism of processive digestion.
Nucleic Acids Res., 41, 2013
4GOM
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BU of 4gom by Molmil
Crystal Structure of E. coli DNA Adenine Methyltransferase in Complex with Aza-SAM
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl]amino}-5'-deoxyadenosine, DNA adenine methylase
Authors:Harmer, J.E, Roach, P.L.
Deposit date:2012-08-20
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural Basis of Selective N-6 adenine methyltransferase Inhibition by Transition State Mimic
To be published
1ZA7
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BU of 1za7 by Molmil
The crystal structure of salt stable cowpea cholorotic mottle virus at 2.7 angstroms resolution.
Descriptor: Coat protein
Authors:Bothner, B, Speir, J.A, Qu, C, Willits, D.A, Young, M.J, Johnson, J.E.
Deposit date:2005-04-05
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enhanced local symmetry interactions globally stabilize a mutant virus capsid that maintains infectivity and capsid dynamics.
J.Virol., 80, 2006
7L7P
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BU of 7l7p by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with CH-24
Descriptor: 1,2-ETHANEDIOL, NS3/4A protease, SULFATE ION, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2020-12-29
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
J.Med.Chem., 64, 2021
7L7O
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Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49
Descriptor: (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ...
Authors:Zephyr, J, Schiffer, C.A.
Deposit date:2020-12-29
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants.
J.Med.Chem., 64, 2021

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