New PDB entries - Protein Data Bank Japan

New PDB entries

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_97
Descriptor:	6-{[(3-chloro-4-fluorophenyl)methyl]sulfanyl}-9H-purine, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (1 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQH

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_71
Descriptor:	(3R)-3-[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylbutanamide, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (1.02 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQI

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_88
Descriptor:	3-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)but-3-en-1-ol, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (1 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_48
Descriptor:	N-[(1R)-2,2-dimethylcyclopentyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (1.02 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_58
Descriptor:	N'-(3,5-dichloro-4-methylbenzene-1-sulfonyl)-2-hydroxybenzohydrazide, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (1 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_78
Descriptor:	3-{2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]ethyl}-1,3-oxazolidin-2-one, CHLORIDE ION, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (0.99 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_76
Descriptor:	(4R)-4-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1-propylpyrrolidin-2-one, CHLORIDE ION, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (0.97 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_32
Descriptor:	1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (0.99 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_89
Descriptor:	(1R)-1-{1-[(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopropyl}-2-methoxyethan-1-ol, CHLORIDE ION, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (1.01 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

7HQP

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_9
Descriptor:	4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine, Non-structural protein 3
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-12-08
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (0.99 Å)
Cite:	Ligand screen against SARS-CoV-2 NSP3 macrodomain To be published

8RX4

Mycothione reductase from Mycobacterium xenopi in complex with co-factor FAD and redox co-factor NADP(H)
Descriptor:	FLAVIN-ADENINE DINUCLEOTIDE, Mycothione reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:	Oorts, L, Osipov, E.M, Beelen, S, Strelkov, S.V.
Deposit date:	2024-02-06
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (2.34 Å)
Cite:	Structure of mycothione reductase To Be Published

8RX5

Mycothione reductase from M. tuberculosis with FAD and NADPH
Descriptor:	FLAVIN-ADENINE DINUCLEOTIDE, Mycothione reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:	Oorts, L, Osipov, E.M, Beelen, S, Strelkov, S.V.
Deposit date:	2024-02-06
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (3.25 Å)
Cite:	Structure of mycothione reductase To Be Published

8RX6

Mycothione reductase from Mycobacterium tuberculosis in complex with Respiri-1093
Descriptor:	(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine, FLAVIN-ADENINE DINUCLEOTIDE, Mycothione reductase
Authors:	Oorts, L, Osipov, E.M, Beelen, S, Strelkov, S.V.
Deposit date:	2024-02-06
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (3.42 Å)
Cite:	Structure of mycothione reductase To Be Published

8RY0

CryoEM structure of M. smegmatis GMP reductase in complex with GMP at pH 6.6, extended conformation.
Descriptor:	GMP reductase, GUANOSINE-5'-MONOPHOSPHATE
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (3.66 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY1

CryoEM structure of M. smegmatis GMP reductase in complex with GMP at pH 6.6, compressed conformation.
Descriptor:	GMP reductase, GUANOSINE-5'-MONOPHOSPHATE
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (3.85 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY3

CryoEM structure of M. smegmatis GMP reductase in complex with GMP and GTP at pH 6.6, extended conformation I.
Descriptor:	GMP reductase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (2.52 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY4

CryoEM structure of M. smegmatis GMP reductase in complex with GMP and GTP at pH 6.6, extended conformation II.
Descriptor:	GMP reductase, GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (3.72 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY5

CryoEM structure of M. smegmatis GMP reductase in complex with GMP and ATP at pH 6.6, compressed conformation.
Descriptor:	ADENOSINE-5'-TRIPHOSPHATE, GMP reductase, GUANOSINE-5'-MONOPHOSPHATE
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (2.48 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY6

CryoEM structure of M. smegmatis GMP reductase apoform at pH 6.6, extended conformation I.
Descriptor:	GMP reductase
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (3.22 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY7

CryoEM structure of M. smegmatis GMP reductase apoform at pH 6.6, extended conformation II.
Descriptor:	GMP reductase
Authors:	Dolezal, M, Kouba, T, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (3.7 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY8

CryoEM structure of M. smegmatis GMP reductase apoform at pH 7.8, extended conformation I.
Descriptor:	GMP reductase
Authors:	Dolezal, M, Kouba, T, Svachova, H, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (2.96 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RY9

CryoEM structure of M. smegmatis GMP reductase apoform at pH 7.8, extended conformation II.
Descriptor:	GMP reductase
Authors:	Dolezal, M, Kouba, T, Svachova, H, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (3.2 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RYA

CryoEM structure of M. smegmatis GMP reductase apoform at pH 7.8, tetramer.
Descriptor:	GMP reductase
Authors:	Dolezal, M, Kouba, T, Svachova, H, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (2.82 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8RYB

CryoEM structure of M. smegmatis GMP reductase in complex with GMP at pH 7.8, extended conformation.
Descriptor:	GMP reductase, GUANOSINE-5'-MONOPHOSPHATE
Authors:	Dolezal, M, Tomas, K, Filimonenko, A, Pichova, I.
Deposit date:	2024-02-08
Release date:	2025-08-20
Method:	ELECTRON MICROSCOPY (2.84 Å)
Cite:	Structural basis for allosteric regulation of mycobacterial guanosine 5'-monophosphate reductase with ATP and GTP. To Be Published

8SE1

Structure of Full-length Human Protein Kinase C Beta 2 (PKCBII) in the Inactive Conformation
Descriptor:	MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase C beta type, ...
Authors:	Cong, A.T.Q, Witter, T.L, Bruinsma, E.S, Jayaraman, S, Dugan, M.B, Hawse, J.R, Goetz, M.P, Schellenberg, M.J.
Deposit date:	2023-04-07
Release date:	2025-08-20
Method:	X-RAY DIFFRACTION (3.32 Å)
Cite:	Molecular Basis of Allosteric Regulation and Pharmaceutical Targeting of Protein Kinase C b To Be Published

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Displayed results:	25
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