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5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
Descriptor: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
Authors:Murray, J.M, Boenig, G.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.087 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
Descriptor: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
6YPZ
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BU of 6ypz by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6YQ6
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BU of 6yq6 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6YQ3
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BU of 6yq3 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6YQ0
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BU of 6yq0 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
8TJF
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BU of 8tjf by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: Fab Lambda light chain, IgG1 Fab heavy chain
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y, Chiang, C.
Deposit date:2023-07-21
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
8TI4
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BU of 8ti4 by Molmil
monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the CH1-CL interface
Descriptor: GLYCEROL, IgG1 Fab heavy chain, mutated to promote correct pairing, ...
Authors:Oganesyan, V.Y, van Dyk, N, Mazor, Y.
Deposit date:2023-07-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Robust production of monovalent bispecific IgG antibodies through novel electrostatic steering mutations at the C H 1-C lambda interface.
Mabs, 15, 2023
5BTU
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BU of 5btu by Molmil
The structure of Diels-Alderase PyrI4 in the biosynthetic pathway of pyrroindomycins
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, PyrI4
Authors:Pan, L, Guo, Y, Liu, J.
Deposit date:2015-06-03
Release date:2016-02-24
Last modified:2016-03-30
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
5BU3
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BU of 5bu3 by Molmil
Crystal Structure of Diels-Alderase PyrI4 in complex with its product
Descriptor: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4
Authors:Pan, L, Guo, Y, Liu, J.
Deposit date:2015-06-03
Release date:2016-02-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
1DKC
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BU of 1dkc by Molmil
SOLUTION STRUCTURE OF PAFP-S, AN ANTIFUNGAL PEPTIDE FROM THE SEEDS OF PHYTOLACCA AMERICANA
Descriptor: ANTIFUNGAL PEPTIDE
Authors:Wang, D.C, Gao, G.H, Shao, F, Dai, J.X, Wang, J.F.
Deposit date:1999-12-07
Release date:2000-12-13
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of PAFP-S: a new knottin-type antifungal peptide from the seeds of Phytolacca americana
Biochemistry, 40, 2001
4UXX
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BU of 4uxx by Molmil
Structure of delta4-DgkA with AMPPCP in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Li, D, Vogeley, L, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXW
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BU of 4uxw by Molmil
Structure of delta4-DgkA-apo in 9.9 MAG
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4S)-2-METHYL-2,4-PENTANEDIOL, DIACYLGLYCEROL KINASE, ...
Authors:Li, D, Pye, V.E, Aragao, D, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UYO
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BU of 4uyo by Molmil
Structure of delta7-DgkA in 7.9 MAG by serial femtosecond crystatallography to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CITRATE ANION, ...
Authors:Li, D, Howe, N, Other, O, Caffrey, M.
Deposit date:2014-09-02
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4UXZ
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BU of 4uxz by Molmil
Structure of delta7-DgkA-syn in 7.9 MAG to 2.18 angstrom resolution
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, ACETATE ION, ...
Authors:Li, D, Howe, N, Caffrey, M.
Deposit date:2014-08-27
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ternary Structure Reveals Mechanism of a Membrane Diacylglycerol Kinase.
Nat.Commun., 6, 2015
4Y0K
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BU of 4y0k by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE in complex with NADP
Descriptor: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Abe, I, Zhang, L, Mori, T.
Deposit date:2015-02-06
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
4Y1B
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BU of 4y1b by Molmil
Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP
Descriptor: AntE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Abe, I, Zhang, L, Mori, T.
Deposit date:2015-02-07
Release date:2015-09-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rational Control of Polyketide Extender Units by Structure-Based Engineering of a Crotonyl-CoA Carboxylase/Reductase in Antimycin Biosynthesis
Angew.Chem.Int.Ed.Engl., 54, 2015
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
Descriptor: Lipolytic enzyme, G-D-S-L family
Authors:Ko, T.-P, Chen, C.-C, Guo, R.-T.
Deposit date:2020-03-26
Release date:2020-05-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
5HS2
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BU of 5hs2 by Molmil
Crystal structure of IspD complexed with CTP and Mg2+ from Bacillus subtilis at 1.90 Angstroms resolution
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Jin, Y, Liu, Z.C, Wang, G.G.
Deposit date:2016-01-24
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
5H9D
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BU of 5h9d by Molmil
Crystal structure of Heptaprenyl Diphosphate Synthase from Staphylococcus aureus
Descriptor: C-terminal peptide from Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, Farnesyl pyrophosphate synthetase, Heptaprenyl diphosphate synthase (HEPPP synthase) subunit 1 family protein, ...
Authors:Wei, H.L, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
Deposit date:2015-12-28
Release date:2016-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure, Function, and Inhibition of Staphylococcus aureus Heptaprenyl Diphosphate Synthase
ChemMedChem, 11, 2016
7CQH
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BU of 7cqh by Molmil
Complex of TRP_CBS2 and Calmodulin_Clobe
Descriptor: AT15141p, CALCIUM ION, Transient receptor potential protein
Authors:Shen, Z.S.
Deposit date:2020-08-10
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
7CQP
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BU of 7cqp by Molmil
Complex of TRPC4 and Calmodulin_Nlobe
Descriptor: CALCIUM ION, Calmodulin-1, Peptide from Short transient receptor potential channel 4
Authors:Shen, Z.S.
Deposit date:2020-08-11
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
7CQV
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BU of 7cqv by Molmil
Complex of TRP_CBS1 and Calmodulin_Nlobe
Descriptor: AT15141p, CALCIUM ION, Transient receptor potential protein
Authors:Shen, Z.S.
Deposit date:2020-08-11
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Calmodulin binds to Drosophila TRP with an unexpected mode.
Structure, 29, 2021
5D4Y
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BU of 5d4y by Molmil
A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
Descriptor: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase
Authors:Zheng, Y, Guo, R.T.
Deposit date:2015-08-10
Release date:2016-02-24
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
8H41
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BU of 8h41 by Molmil
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol
Descriptor: MAGNESIUM ION, O-NITROPHENOL, Salicylate decarboxylase
Authors:Gao, J, Zhao, Y.P, Li, Q, Liu, W.D, Sheng, X.
Deposit date:2022-10-09
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Combined Computational-Experimental Study on the Substrate Binding and Reaction Mechanism of Salicylic Acid Decarboxylase
Catalysts, 12, 2022

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