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6E08
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BU of 6e08 by Molmil
Crystal structure of G6PD in complex with structural NADP
Descriptor: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rahighi, S, Mochly Rosen, D, Wakatsuki, S.
Deposit date:2018-07-06
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
6E07
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BU of 6e07 by Molmil
Crystal structure of Canton G6PD in complex with structural NADP
Descriptor: GLYCEROL, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Rahighi, S, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2018-07-06
Release date:2018-07-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator.
Nat Commun, 9, 2018
1LDM
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BU of 1ldm by Molmil
Refined crystal structure of dogfish M4 apo-lactate dehydrogenase
Descriptor: M4 LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID
Authors:Griffith, J.P, Rossmann, M.G.
Deposit date:1987-11-25
Release date:1989-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
9K72
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BU of 9k72 by Molmil
Crystal structure of TsaBgl using merged datasets
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, beta-glucosidase
Authors:Nam, K.H.
Deposit date:2024-10-23
Release date:2024-11-06
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Application of Serial Crystallography for Merging Incomplete Macromolecular Crystallography Datasets.
Crystals, 14, 2024
9K73
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BU of 9k73 by Molmil
Crystal structure of TsaBgl
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, beta-glucosidase
Authors:Nam, K.H.
Deposit date:2024-10-23
Release date:2024-11-06
Last modified:2025-05-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Application of Serial Crystallography for Merging Incomplete Macromolecular Crystallography Datasets.
Crystals, 14, 2024
6IN2
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BU of 6in2 by Molmil
Crystal structure of BRD1 in complex with 18-Crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, ACETATE ION, Bromodomain-containing protein 1
Authors:Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-10-24
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
9JOS
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BU of 9jos by Molmil
STRUCTURE OF ENDO-1,3-FUCANASE FROM GH168 FAMILY
Descriptor: Glycoside-hydrolase family GH114 TIM-barrel domain-containing protein
Authors:Chen, G.N, Chang, Y.G.
Deposit date:2024-09-25
Release date:2024-11-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of endo-1.3-fucanase from GH168 family at 1.70 Angstroms resulution.
To Be Published
5G4E
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BU of 5g4e by Molmil
S. enterica HisA mutant D10G, Dup13-15, Q24L, G102A, V106L
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, ACETIC ACID, GLYCEROL, ...
Authors:Soderholm, A, Guo, X, Newton, M, Nasvall, J, Duarte, F, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2016-05-12
Release date:2017-04-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5ABT
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BU of 5abt by Molmil
S.enterica HisA mutant D7N, G102A, V106M, D176A
Descriptor: 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Authors:Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
Deposit date:2015-08-08
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Protein Structures, Functions and Dynamics of Adaptive Evolution
To be Published
1TNH
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BU of 1tnh by Molmil
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: 4-FLUOROBENZYLAMINE, CALCIUM ION, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994
5VZF
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BU of 5vzf by Molmil
Post-catalytic complex of human Polymerase Mu (W434A) mutant with incoming dTTP
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
1TNJ
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BU of 1tnj by Molmil
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994
5VZA
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BU of 5vza by Molmil
Pre-catalytic ternary complex of human Polymerase Mu (G433S) mutant with incoming nonhydrolyzable UMPNPP
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5VZI
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BU of 5vzi by Molmil
Post-catalytic complex of human Polymerase Mu (W434H) mutant with incoming dTTP
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*AP*T)-3'), ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2017-05-27
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5FXF
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BU of 5fxf by Molmil
Crystal structure of eugenol oxidase in complex with benzoate
Descriptor: BENZOIC ACID, EUGENOL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Nguyen, Q.-T, de Gonzalo, G, Binda, C, Martinez, A.R, Mattevi, A, Fraaije, M.W.
Deposit date:2016-03-01
Release date:2016-07-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biocatalytic Properties and Structural Analysis of Eugenol Oxidase from Rhodococcus Jostii Rha1: A Versatile Oxidative Biocatalyst.
Chembiochem, 17, 2016
5FXP
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BU of 5fxp by Molmil
Crystal structure of eugenol oxidase in complex with vanillin
Descriptor: 4-hydroxy-3-methoxybenzaldehyde, EUGENOL OXIDASE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Nguyen, Q.-T, de Gonzalo, G, Binda, C, Martinez, A.R, Mattevi, A, Fraaije, M.W.
Deposit date:2016-03-02
Release date:2016-07-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Biocatalytic Properties and Structural Analysis of Eugenol Oxidase from Rhodococcus Jostii Rha1: A Versatile Oxidative Biocatalyst.
Chembiochem, 17, 2016
6FQX
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BU of 6fqx by Molmil
Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 6-phosphogluconate dehydrogenase, decarboxylating, ...
Authors:Fritz-Wolf, K, Haeussler, K, Reichmann, M, Rahlfs, S, Becker, K.
Deposit date:2018-02-15
Release date:2018-08-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of Plasmodium falciparum 6-Phosphogluconate Dehydrogenase as an Antimalarial Drug Target.
J. Mol. Biol., 430, 2018
1A6Y
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BU of 1a6y by Molmil
REVERBA ORPHAN NUCLEAR RECEPTOR/DNA COMPLEX
Descriptor: DNA (5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*(5IT)P*AP*GP*GP*TP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3'), ORPHAN NUCLEAR RECEPTOR NR1D1, ...
Authors:Zhao, Q, Khorasanizadeh, S, Rastinejad, F.
Deposit date:1998-03-04
Release date:1998-10-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural elements of an orphan nuclear receptor-DNA complex.
Mol.Cell, 1, 1998
5H04
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BU of 5h04 by Molmil
Crystal structure of an ADP-ribosylating toxin BECa of a novel binary enterotoxin of C. perfringens with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Binary enterotoxin of Clostridium perfringens component a
Authors:Kawahara, K, Yonogi, S, Munetomo, R, Oki, H, Yoshida, T, Ohkubo, T, Kumeda, Y, Matsuda, S, Kodama, T, Iida, T, Nakamura, S.
Deposit date:2016-10-03
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:Crystal structure of the ADP-ribosylating component of BEC, the binary enterotoxin of Clostridium perfringens.
Biochem.Biophys.Res.Commun., 480, 2016
5B6K
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BU of 5b6k by Molmil
Crystal structure of Ketoreductase 1 from Candida glabrata
Descriptor: SULFATE ION, Uncharacterized protein CgKR1
Authors:Qin, B, Mori, T, Abe, I, You, S.
Deposit date:2016-05-30
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Engineering of Candida glabrata Ketoreductase 1 for Asymmetric Reduction of alpha-Halo Ketones
To Be Published
6MOF
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BU of 6mof by Molmil
Monomeric DARPin G2 complex with EpoR
Descriptor: 1,2-ETHANEDIOL, Erythropoietin receptor, G2 DARPin
Authors:Jude, K.M, Mohan, K, Garcia, K.C.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.894 Å)
Cite:Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
5YY8
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BU of 5yy8 by Molmil
Crystal structure of the Kelch domain of human NS1-BP
Descriptor: Influenza virus NS1A-binding protein
Authors:Guo, L, Liu, Y, Liang, H.
Deposit date:2017-12-08
Release date:2018-03-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Crystal structure of the Kelch domain of human NS1-binding protein at 1.98 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 74, 2018
1TNG
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BU of 1tng by Molmil
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: AMINOMETHYLCYCLOHEXANE, CALCIUM ION, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994
4QM1
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BU of 4qm1 by Molmil
Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
Descriptor: 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Mandapati, K, Gollapalli, D, Gorla, S.K, Zhang, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2014-06-14
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7964 Å)
Cite:Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67
To be Published, 2014
5YV8
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BU of 5yv8 by Molmil
Structure of CaMKK2 in complex with CKI-002
Descriptor: 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, CHLORIDE ION, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Niwa, H, Handa, N, Yokoyama, S.
Deposit date:2017-11-24
Release date:2018-12-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
J.Mol.Graph.Model., 99, 2020

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