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1RZU
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BU of 1rzu by Molmil
Crystal structure of the glycogen synthase from A. tumefaciens in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase 1
Authors:Buschiazzo, A, Guerin, M.E, Ugalde, J.E, Ugalde, R.A, Shepard, W, Alzari, P.M.
Deposit date:2003-12-29
Release date:2004-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of glycogen synthase: homologous enzymes catalyze glycogen synthesis and degradation.
Embo J., 23, 2004
6V54
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BU of 6v54 by Molmil
Crystal Structure of Metallo Beta Lactamase from Hirschia baltica
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-03
Release date:2019-12-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of Metallo Beta Lactamase from Hirschia baltica.
To Be Published
6V6N
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BU of 6v6n by Molmil
The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
Descriptor: Beta-lactamase, FORMIC ACID, GLYCEROL, ...
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-12-05
Release date:2019-12-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens
To Be Published
6V80
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BU of 6v80 by Molmil
Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
7SWI
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BU of 7swi by Molmil
cTnC-TnI chimera complexed with A2
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
6V7J
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BU of 6v7j by Molmil
The C2221 crystal form of canavalin at 173 K
Descriptor: BENZOIC ACID, CALCIUM ION, Canavalin, ...
Authors:McPherson, A.
Deposit date:2019-12-08
Release date:2020-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures.
Biochem.Biophys.Res.Commun., 524, 2020
7TFP
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BU of 7tfp by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (1S,3S)-3-amino-4-(difluoromethylene)cyclopentane-1-carboxylic acid.
Descriptor: (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Zhu, W, Silverman, R, Liu, D.
Deposit date:2022-01-06
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
6V8D
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BU of 6v8d by Molmil
Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
Descriptor: (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B.
Deposit date:2019-12-10
Release date:2020-12-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
7TEV
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BU of 7tev by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (3S,4R)-3-amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylate
Descriptor: (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
Authors:Butrin, A, Zhu, W, Silverman, R, Liu, D.
Deposit date:2022-01-05
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
7SUP
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BU of 7sup by Molmil
NMR structure of cTnC-TnI chimera bound to calcium and A1
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-17
Release date:2022-04-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SVC
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BU of 7svc by Molmil
NMR structure of cTnC-TnI chimera bound to calcium and A2
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SOM
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BU of 7som by Molmil
Ciliary C2 central pair apparatus isolated from Chlamydomonas reinhardtii
Descriptor: Cilia- and flagella-associated protein 20, FAP147, FAP178, ...
Authors:Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R.
Deposit date:2021-11-01
Release date:2022-04-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Ciliary central apparatus structure reveals mechanisms of microtubule patterning.
Nat.Struct.Mol.Biol., 29, 2022
7TGH
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BU of 7tgh by Molmil
Cryo-EM structure of respiratory super-complex CI+III2 from Tetrahymena thermophila
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ...
Authors:Zhou, L, Maldonado, M, Padavannil, A, Guo, F, Letts, J.A.
Deposit date:2022-01-07
Release date:2022-04-06
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of Tetrahymena 's respiratory chain reveal the diversity of eukaryotic core metabolism.
Science, 376, 2022
7TED
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BU of 7ted by Molmil
Human Ornithine Aminotransferase cocrystallized with its inhibitor, (S,E)-3-amino-4-(fluoromethylene)cyclopent-1-ene-1-carboxylate
Descriptor: (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ...
Authors:Butrin, A, Zhu, W, Silverman, R, Liu, D.
Deposit date:2022-01-04
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Rational Design, Synthesis, and Mechanism of (3 S ,4 R )-3-Amino-4-(difluoromethyl)cyclopent-1-ene-1-carboxylic Acid: Employing a Second-Deprotonation Strategy for Selectivity of Human Ornithine Aminotransferase over GABA Aminotransferase.
J.Am.Chem.Soc., 144, 2022
7SQC
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BU of 7sqc by Molmil
Ciliary C1 central pair apparatus isolated from Chlamydomonas reinhardtii
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CPC1, Calmodulin, ...
Authors:Gui, M, Wang, X, Dutcher, S.K, Brown, A, Zhang, R.
Deposit date:2021-11-05
Release date:2022-04-13
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Ciliary central apparatus structure reveals mechanisms of microtubule patterning.
Nat.Struct.Mol.Biol., 29, 2022
2MK3
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BU of 2mk3 by Molmil
Solution NMR structure of gp41 ectodomain monomer on a DPC micelle
Descriptor: Transmembrane glycoprotein, chimeric construct
Authors:Roche, J, Louis, J.M, Grishaev, A, Ying, J, Bax, A.
Deposit date:2014-01-23
Release date:2014-02-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Dissociation of the trimeric gp41 ectodomain at the lipid-water interface suggests an active role in HIV-1 Env-mediated membrane fusion.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MB0
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BU of 2mb0 by Molmil
Solution structure of hnRNP G RRM in complex with the RNA 5'-AUCAAA-3'
Descriptor: RNA-binding motif protein, X chromosome, RNA_(5'-R(*AP*UP*CP*AP*AP*A)-3')
Authors:Moursy, A, Allain, F.H.-T, Clery, A.
Deposit date:2013-07-22
Release date:2014-04-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Characterization of the RNA recognition mode of hnRNP G extends its role in SMN2 splicing regulation.
Nucleic Acids Res., 42, 2014
6VBU
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BU of 6vbu by Molmil
Structure of the bovine BBSome complex
Descriptor: BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, Bardet-Biedl syndrome 2 protein homolog, ...
Authors:Singh, S.K, Gui, M, Koh, F, Yip, M.C.J, Brown, A.
Deposit date:2019-12-19
Release date:2020-01-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure and activation mechanism of the BBSome membrane protein trafficking complex.
Elife, 9, 2020
7AHR
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BU of 7ahr by Molmil
Enzyme of biosynthetic pathway
Descriptor: 3-[(1-Carboxyvinyl)oxy]benzoic acid, Chorismate dehydratase, GLYCEROL
Authors:Archna, A, Breithaupt, C, Stubbs, M.T.
Deposit date:2020-09-25
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of chorismate dehydratase MqnA, the first enzyme of the futalosine pathway, proceeds via substrate-assisted catalysis
J.Biol.Chem., 2022
6USU
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BU of 6usu by Molmil
Crystal structure of GluN1/GluN2A ligand-binding domain in complex with L689,560 and glutamate
Descriptor: (2R,4S)-5,7-dichloro-4-[(phenylcarbamoyl)amino]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid, GLUTAMIC ACID, Glutamate receptor ionotropic, ...
Authors:Romero-Hernandez, A, Tajima, N, Chou, T, Furukawa, H.
Deposit date:2019-10-28
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Structural Basis of Functional Transitions in Mammalian NMDA Receptors.
Cell, 182, 2020
2MJX
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BU of 2mjx by Molmil
Solution NMR structure of a mismatch DNA
Descriptor: DNA (5'-D(*CP*GP*CP*GP*TP*AP*CP*GP*AP*TP*GP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*CP*G)-3')
Authors:Ghosh, A, Kumar, K.R, Bhunia, A, Chatterjee, S.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Double GC:GC mismatch in dsDNA enhances local dynamics retaining the DNA footprint: a high-resolution NMR study
Chemmedchem, 9, 2014
7T7N
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BU of 7t7n by Molmil
Structure of SPCC1393.13 protein from fission yeast
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Damage-control phosphatase SPCC1393.13, PHOSPHATE ION
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7O
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BU of 7t7o by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
Descriptor: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, PHOSPHATE ION
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7T7K
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BU of 7t7k by Molmil
Structure of SPAC806.04c protein from fission yeast bound to Co2+
Descriptor: CHLORIDE ION, COBALT (II) ION, Damage-control phosphatase SPAC806.04c, ...
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2021-12-15
Release date:2022-06-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
6VFM
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BU of 6vfm by Molmil
Crystal structure of SpeG allosteric polyamine acetyltransferase from Bacillus thuringiensis
Descriptor: Spermidine N1-acetyltransferase
Authors:Tsimbalyuk, S, Shornikov, A, Le, V.T.B, Kuhn, M.L, Forwood, J.K.
Deposit date:2020-01-05
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:SpeG polyamine acetyltransferase enzyme from Bacillus thuringiensis forms a dodecameric structure and exhibits high catalytic efficiency.
J.Struct.Biol., 210, 2020

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