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5GR3
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BU of 5gr3 by Molmil
Crystal structure of branching enzyme L541A/W655A mutant from Cyanothece sp. ATCC 51142
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-08-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for substrate binding and catalysis of branching enzyme from Cyanothece sp. ATCC 51142
To be published
5GQV
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BU of 5gqv by Molmil
Crystal structure of branching enzyme from Cyanothece sp. ATCC 51142 in complex with maltohexaose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-02-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bound Substrate in the Structure of Cyanobacterial Branching Enzyme Supports a New Mechanistic Model
J. Biol. Chem., 292, 2017
5GR4
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BU of 5gr4 by Molmil
Crystal structure of branching enzyme L541A mutant from Cyanothece sp. ATCC 51142 in complex with maltoheptaose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION, ...
Authors:Suzuki, R, Suzuki, E.
Deposit date:2016-08-08
Release date:2017-08-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for substrate binding and catalysis of branching enzyme from Cyanothece sp. ATCC 51142
To be published
6TIZ
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BU of 6tiz by Molmil
DROSOPHILA GDP-TUBULIN Y222F MUTANT
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
6TIU
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BU of 6tiu by Molmil
DROSOPHILA GTP-TUBULIN Y222F MUTANT
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.571 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
6TIY
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BU of 6tiy by Molmil
DROSOPHILA GMPCPP-TUBULIN
Descriptor: GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.293 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
1AL0
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BU of 1al0 by Molmil
PROCAPSID OF BACTERIOPHAGE PHIX174
Descriptor: CAPSID PROTEIN GPF, SCAFFOLDING PROTEIN GPB, SCAFFOLDING PROTEIN GPD, ...
Authors:Rossmann, M.G, Dokland, T.
Deposit date:1997-06-06
Release date:1998-01-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of a viral procapsid with molecular scaffolding.
Nature, 389, 1997
6TIS
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BU of 6tis by Molmil
DROSOPHILA GDP-TUBULIN
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Gigant, B.
Deposit date:2019-11-22
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.
J.Cell Biol., 220, 2021
5KZ8
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BU of 5kz8 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
Descriptor: 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
Authors:Su, H.P, Munshi, S.K.
Deposit date:2016-07-23
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5KZ7
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BU of 5kz7 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
Descriptor: 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
Authors:Su, H.P, Munshi, S.K.
Deposit date:2016-07-23
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
3EY4
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BU of 3ey4 by Molmil
Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
Descriptor: (5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-5-(1-hydroxy-1-methylethyl)-5-methyl-1,3-thiazol-4(5H)-one, 11-beta-Hydroxysteroid Dehydrogenase 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, J.D, Jordan, S.R, Li, V.
Deposit date:2008-10-17
Release date:2008-11-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Further studies with the 2-amino-1,3-thiazol-4(5H)-one class of 11-hydroxysteroid dehydrogenase type 1 (11-HSD1) inhibitors: Reducing pregnane X receptor (PXR) activity and exploring activity in a monkey pharmacodynamic model
To be Published, 2008
8H78
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BU of 8h78 by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Descriptor: (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
Authors:Kamitani, M, Takeuchi, T, Mima, M.
Deposit date:2022-10-19
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold.
J.Med.Chem., 66, 2023
8HPK
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BU of 8hpk by Molmil
Crystal structure of the bacterial oxalate transporter OxlT in an oxalate-bound occluded form
Descriptor: Fab fragment Heavy chein, Fab fragment Light chain, OXALATE ION, ...
Authors:Shimamura, T, Hirai, T, Yamashita, A.
Deposit date:2022-12-12
Release date:2023-02-15
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota.
Nat Commun, 14, 2023
8HPJ
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BU of 8hpj by Molmil
Crystal structure of the bacterial oxalate transporter OxlT in a ligand-free outward-facing form
Descriptor: Fv fragment Heavy chain, Fv fragment Light chain, Oxalate:formate antiporter
Authors:Shimamura, T, Hirai, T, Yamashita, A.
Deposit date:2022-12-12
Release date:2023-02-15
Last modified:2023-04-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure and mechanism of oxalate transporter OxlT in an oxalate-degrading bacterium in the gut microbiota.
Nat Commun, 14, 2023
5EAK
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BU of 5eak by Molmil
Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties
Descriptor: N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide, Serine/threonine-protein kinase MARK2
Authors:Su, H.P.
Deposit date:2015-10-16
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.
Bioorg.Med.Chem.Lett., 26, 2016
1GFF
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BU of 1gff by Molmil
THE ATOMIC STRUCTURE OF THE DEGRADED PROCAPSID PARTICLE OF THE BACTERIOPHAGE G4: INDUCED STRUCTURAL CHANGES IN THE PRESENCE OF CALCIUM IONS AND FUNCTIONAL IMPLICATIONS
Descriptor: BACTERIOPHAGE G4 CAPSID PROTEINS GPF, GPG, GPJ
Authors:Rossmann, M.G.
Deposit date:1995-11-06
Release date:1996-04-03
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Atomic structure of the degraded procapsid particle of the bacteriophage G4: induced structural changes in the presence of calcium ions and functional implications.
J.Mol.Biol., 256, 1996
8GR9
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BU of 8gr9 by Molmil
Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomyces cerevisiae in complex with oxaloacetate and coenzyme-A
Descriptor: CHLORIDE ION, COENZYME A, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GR8
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BU of 8gr8 by Molmil
Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomycescerevisiae
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GRE
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BU of 8gre by Molmil
F-box protein in complex with skp1(FL) and substrate
Descriptor: Citrate synthase, E3 ubiquitin ligase complex SCF subunit, F-box protein UCC1, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GQZ
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BU of 8gqz by Molmil
Crystal structure of mitochondrial citrate synthase (Cit1) from Saccharomyces cerevisiae
Descriptor: ACETATE ION, CHLORIDE ION, Citrate synthase, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-08-31
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
8GRF
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BU of 8grf by Molmil
Crystal structure of F-box protein in the ternary complex with adaptor protein Skp1(DL) and its substrate
Descriptor: 1,2-ETHANEDIOL, Citrate synthase, E3 ubiquitin ligase complex SCF subunit, ...
Authors:Nishio, K, Nakatsukasa, K, Kamura, T, Mizushima, T.
Deposit date:2022-09-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Defective import of mitochondrial metabolic enzyme elicits ectopic metabolic stress.
Sci Adv, 9, 2023
7XJO
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BU of 7xjo by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kamitani, M, Mima, M, Takeuchi, T.
Deposit date:2022-04-18
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
7XGJ
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BU of 7xgj by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Descriptor: CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ...
Authors:Kamitani, M, Mima, M, Takeuchi, T.
Deposit date:2022-04-05
Release date:2022-06-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
1FIY
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BU of 1fiy by Molmil
THREE-DIMENSIONAL STRUCTURE OF PHOSPHOENOLPYRUVATE CARBOXYLASE FROM ESCHERICHIA COLI AT 2.8 A RESOLUTION
Descriptor: ASPARTIC ACID, PHOSPHOENOLPYRUVATE CARBOXYLASE
Authors:Kai, Y, Matsumura, H, Inoue, T, Terada, K, Nagara, Y, Yoshinaga, T, Kihara, A, Izui, K.
Deposit date:1998-05-02
Release date:1999-02-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of phosphoenolpyruvate carboxylase: a proposed mechanism for allosteric inhibition.
Proc.Natl.Acad.Sci.USA, 96, 1999
6KLF
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BU of 6klf by Molmil
Crystal structure of branching enzyme D434A mutant from Cyanothece sp. ATCC 51142
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, GLYCEROL, MAGNESIUM ION
Authors:Suzuki, R, Suzuki, E.
Deposit date:2019-07-30
Release date:2020-08-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cyanobacterial branching enzymes bind to alpha-glucan via surface binding sites
Arch.Biochem.Biophys., 702, 2021

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