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1LIE
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BU of 1lie by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH PALMITATE AND HEXADECANESULFONIC ACID. PROPERTIES OF CAVITY BINDING SITES
Descriptor: ADIPOCYTE LIPID-BINDING PROTEIN, PALMITIC ACID, PROPANOIC ACID
Authors:Lalonde, J.M, Bernlohr, D.A, Banaszak, L.J.
Deposit date:1993-12-21
Release date:1994-04-30
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic structures of adipocyte lipid-binding protein complexed with palmitate and hexadecanesulfonic acid. Properties of cavity binding sites.
Biochemistry, 33, 1994
1HAX
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BU of 1hax by Molmil
Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ...
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HAZ
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BU of 1haz by Molmil
Snapshots of serine protease catalysis: (C) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 9 for 1 minute
Descriptor: BETA-CASOMORPHIN-7, CALCIUM ION, ELASTASE 1, ...
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HB0
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BU of 1hb0 by Molmil
Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes
Descriptor: CALCIUM ION, ELASTASE 1, SULFATE ION
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HAY
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BU of 1hay by Molmil
Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds
Descriptor: CALCIUM ION, ELASTASE 1, SULFATE ION
Authors:Wilmouth, R.C, Edman, K, Neutze, R, Wright, P.A, Clifton, I.J, Schneider, T.R, Schofield, C.J, Hajdu, J.
Deposit date:2001-04-10
Release date:2001-08-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate
Nat.Struct.Biol., 8, 2001
1HBV
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BU of 1hbv by Molmil
A CHECK ON RATIONAL DRUG DESIGN. CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A NOVEL GAMMA-TURN MIMETIC
Descriptor: 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER, HIV-1 PROTEASE
Authors:Hoog, S, Abdel-Meguid, S.
Deposit date:1995-03-29
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.
J.Med.Chem., 38, 1995
4AU1
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BU of 4au1 by Molmil
Crystal Structure of CobH (precorrin-8x methyl mutase) complexed with C5 desmethyl-HBA
Descriptor: DESMETHYL-HBA, PRECORRIN-8X METHYLMUTASE, SULFATE ION
Authors:Deery, E, Lawrence, A.D, Schroeder, S, Taylor, S.L, Seyedarabi, A, Vevodova, J, Wilson, K.S, Brown, D, Geeves, M.A, Howard, M.J, Pickersgill, R.W, Warren, M.J.
Deposit date:2012-05-11
Release date:2012-09-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An Enzyme-Trap Approach Allows Isolation of Intermediates in Cobalamin Biosynthesis
Nat.Chem.Biol., 8, 2012
4CPM
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BU of 4cpm by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-07
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
4CPN
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BU of 4cpn by Molmil
Structure of the Neuraminidase from the B/Brisbane/60/2008 virus in complex with Zanamivir
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Vachieri, S.G, Collins, P.J, Escuret, V, Casalegno, J.S, Cattle, N, Ferraris, O, Sabatier, M, Frobert, E, Caro, V, Skehel, J.J, Gamblin, S.J, Valla, F, Valette, M, Ottmann, M, McCauley, J.W, Daniels, R.S, Lina, B.
Deposit date:2014-02-08
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel I221 L Substitution in Neuraminidase Confers High Level Resistance to Oseltamivir in Influenza B Viruses.
J.Infect.Dis., 210, 2014
5TPB
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BU of 5tpb by Molmil
Binding domain of BoNT/A complexed with ganglioside variant
Descriptor: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
Deposit date:2016-10-20
Release date:2017-01-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
1CGU
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BU of 1cgu by Molmil
CATALYTIC CENTER OF CYCLODEXTRIN GLYCOSYLTRANSFERASE DERIVED FROM X-RAY STRUCTURE ANALYSIS COMBINED WITH SITE-DIRECTED MUTAGENESIS
Descriptor: CALCIUM ION, CYCLODEXTRIN GLYCOSYL-TRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Klein, C, Hollender, J, Bender, H, Schulz, G.E.
Deposit date:1992-06-10
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalytic center of cyclodextrin glycosyltransferase derived from X-ray structure analysis combined with site-directed mutagenesis.
Biochemistry, 31, 1992
5M6J
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BU of 5m6j by Molmil
Crystal structure of nitrophorin 7 E27V mutant from Rhodnius prolixus
Descriptor: Nitrophorin-7, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ogata, H.
Deposit date:2016-10-25
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Electrostatic Tuning of the Ligand Binding Mechanism by Glu27 in Nitrophorin 7.
Sci Rep, 8, 2018
5M6K
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BU of 5m6k by Molmil
Crystal structure of nitrophorin 7 E27V mutant from Rhodnius prolixus with imidazole
Descriptor: IMIDAZOLE, Nitrophorin-7, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ogata, H.
Deposit date:2016-10-25
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Electrostatic Tuning of the Ligand Binding Mechanism by Glu27 in Nitrophorin 7.
Sci Rep, 8, 2018
7VNU
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BU of 7vnu by Molmil
Crystal structure of the N-terminal domain of SARS-CoV-2 nucleocapsid protein
Descriptor: ACETATE ION, Nucleoprotein
Authors:Zhou, R.J, Ni, X.C, Lei, J.
Deposit date:2021-10-12
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into ribonucleoprotein dissociation by nucleocapsid protein interacting with non-structural protein 3 in SARS-CoV-2.
Commun Biol, 6, 2023
6TC3
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BU of 6tc3 by Molmil
Cryo-EM structure of an Escherichia coli ribosome-SpeFL complex stalled in response to L-ornithine (Replicate 1)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Innis, C.A, Herrero del Valle, A.
Deposit date:2019-11-05
Release date:2020-01-01
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ornithine capture by a translating ribosome controls bacterial polyamine synthesis.
Nat Microbiol, 5, 2020
6TBV
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BU of 6tbv by Molmil
Cryo-EM structure of an Escherichia coli ribosome-SpeFL complex stalled in response to L-ornithine (Replicate 2)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Herrero del Valle, A, Innis, C.A.
Deposit date:2019-11-04
Release date:2020-01-01
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Ornithine capture by a translating ribosome controls bacterial polyamine synthesis.
Nat Microbiol, 5, 2020
1DYU
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BU of 1dyu by Molmil
The active site base controls cofactor reactivity in Escherichia coli amine oxidase: X-ray crystallographic studies with mutational variants.
Descriptor: CALCIUM ION, COPPER (II) ION, COPPER AMINE OXIDASE
Authors:Murray, J.M, Wilmot, C.M, Saysell, C.G, Jaeger, J, Knowles, P.F, Phillips, S.E.V, McPherson, M.J.
Deposit date:2000-02-08
Release date:2000-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographicstudies with Mutational Variants
Biochemistry, 38, 1999
7YU1
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BU of 7yu1 by Molmil
Structure of 6-aminohexanoate-oligomer hydrolase NylC precursor, D122G/H130Y/T267C mutant
Descriptor: 6-aminohexanoate-oligomer endohydrolase, GLYCEROL, SODIUM ION, ...
Authors:Negoro, S, Higuchi, Y.
Deposit date:2022-08-16
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:X-ray crystallographic and mutational analysis of the NylC precursor: catalytic mechanism of autocleavage and substrate hydrolysis of nylon hydrolase.
Febs J., 290, 2023
7YU0
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BU of 7yu0 by Molmil
Structure of 6-aminohexanoate-oligomer hydrolase NylC precursor, H130Y/N266A/T267A mutant
Descriptor: 6-aminohexanoate-oligomer endohydrolase, GLYCEROL, SODIUM ION, ...
Authors:Negoro, S, Higuchi, Y.
Deposit date:2022-08-16
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:X-ray crystallographic and mutational analysis of the NylC precursor: catalytic mechanism of autocleavage and substrate hydrolysis of nylon hydrolase.
Febs J., 290, 2023
7YU2
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BU of 7yu2 by Molmil
Structure of 6-aminohexanoate-oligomer hydrolase NylC, D122G/H130Y/T267C mutant, hydroxylamine-treated
Descriptor: 6-aminohexanoate-oligomer endohydrolase, GLYCEROL, SULFATE ION
Authors:Negoro, S, Higuchi, Y.
Deposit date:2022-08-16
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:X-ray crystallographic and mutational analysis of the NylC precursor: catalytic mechanism of autocleavage and substrate hydrolysis of nylon hydrolase.
Febs J., 290, 2023
4MDF
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BU of 4mdf by Molmil
Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA
Descriptor: CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A.
Deposit date:2013-08-22
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
4MM3
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BU of 4mm3 by Molmil
Crystal structure of SARS-CoV papain-like protease PLpro in complex with ubiquitin aldehyde
Descriptor: Papain-like proteinase, Ubiquitin, ZINC ION
Authors:Mesecar, A.D, Ratia, K.
Deposit date:2013-09-08
Release date:2014-07-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.752 Å)
Cite:Structural Basis for the Ubiquitin-Linkage Specificity and deISGylating activity of SARS-CoV papain-like protease.
Plos Pathog., 10, 2014
3AHS
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BU of 3ahs by Molmil
Crystal Structure of Ustilago sphaerogena Ribonuclease U2B
Descriptor: GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Noguchi, S.
Deposit date:2010-04-29
Release date:2010-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural changes induced by the deamidation and isomerization of asparagine revealed by the crystal structure of Ustilago sphaerogena ribonuclease U2B
Biopolymers, 93, 2010
1C5H
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BU of 1c5h by Molmil
HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P.
Deposit date:1999-11-24
Release date:2000-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
1C5I
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BU of 1c5i by Molmil
HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE
Descriptor: ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P.
Deposit date:1999-11-24
Release date:2000-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000

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