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4PSW
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BU of 4psw by Molmil
Crystal structure of histone acetyltransferase complex
Descriptor: COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ...
Authors:Yang, M, Li, Y.
Deposit date:2014-03-08
Release date:2014-07-09
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex
Genes Dev., 28, 2014
5TJE
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BU of 5tje by Molmil
Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14
Descriptor: ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E, Popov, A.
Deposit date:2016-10-04
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
2R7B
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BU of 2r7b by Molmil
Crystal Structure of the Phosphoinositide-dependent Kinase-1 (PDK-1)Catalytic Domain bound to a dibenzonaphthyridine inhibitor
Descriptor: 10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine, 3-phosphoinositide-dependent protein kinase 1, SULFATE ION
Authors:Olland, A.M.
Deposit date:2007-09-07
Release date:2008-09-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.
J.Med.Chem., 50, 2007
6X9I
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BU of 6x9i by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9K
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BU of 6x9k by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
1X0V
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BU of 1x0v by Molmil
Crystal Structure of Homo Sapien Glycerol-3-Phosphate Dehydrogenase 1
Descriptor: Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, SULFATE ION
Authors:Rao, Z, Ou, X.
Deposit date:2005-03-30
Release date:2006-04-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
1X0X
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BU of 1x0x by Molmil
Co-Structure of Homo Sapiens Glycerol-3-Phosphate Dehydrogenase 1 complex with NAD
Descriptor: Glycerol-3-phosphate dehydrogenase [NAD+], cytoplasmic, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Rao, Z, Ou, X.
Deposit date:2005-03-31
Release date:2006-04-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Human Glycerol 3-phosphate Dehydrogenase 1 (GPD1)
J.Mol.Biol., 357, 2006
5TIL
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BU of 5til by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with LCMV-derived GP33 altered peptide V3P and T-cell receptor P14
Descriptor: Alpha chain of murine P14 T cell receptor, Beta chain of murine T cell receptor P14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E.B.
Deposit date:2016-10-03
Release date:2017-11-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Ternary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To be published
1UEF
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BU of 1uef by Molmil
Crystal Structure of Dok1 PTB Domain Complex
Descriptor: 13-mer peptide from Proto-oncogene tyrosine-protein kinase receptor ret, Docking protein 1
Authors:Shi, N, Ye, S, Liu, Y, Zhou, W, Ding, Y, Lou, Z, Qiang, B, Yan, J, Rao, Z.
Deposit date:2003-05-14
Release date:2004-05-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for the Specific Recognition of RET by the Dok1 Phosphotyrosine Binding Domain
J.Biol.Chem., 279, 2004
7YR5
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BU of 7yr5 by Molmil
Embigin facilitates monocarboxylate transporter 1 localization to plasma membrane and transition to a decoupling state
Descriptor: Embigin, Monocarboxylate transporter 1
Authors:Xu, B, Ye, S.
Deposit date:2022-08-08
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Embigin facilitates monocarboxylate transporter 1 localization to the plasma membrane and transition to a decoupling state.
Cell Rep, 40, 2022
7Y3V
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BU of 7y3v by Molmil
Crystal structure of CdpNPT in complex with harmane
Descriptor: 1-methyl-9H-pyrido[3,4-b]indole, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-06-13
Release date:2023-04-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Catalytic potential of a fungal indole prenyltransferase toward beta-carbolines, harmine and harman, and their prenylation effects on antibacterial activity.
J.Biosci.Bioeng., 134, 2022
7XVJ
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BU of 7xvj by Molmil
Crystal structure of CdpNPT in complex with harmol
Descriptor: 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol, Cyclic dipeptide N-prenyltransferase, PHOSPHATE ION
Authors:Nakashima, Y, Morita, H.
Deposit date:2022-05-24
Release date:2023-04-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enzymatic formation of a prenyl beta-carboline by a fungal indole prenyltransferase.
J Nat Med, 76, 2022
4IZY
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BU of 4izy by Molmil
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol
Authors:Kuglstatter, A, Shao, A.
Deposit date:2013-01-30
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Bioorg.Med.Chem.Lett., 23, 2013
7VX2
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BU of 7vx2 by Molmil
Crystal Structure of the Y53F/N55A/I80F/L114V/I116V mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-12
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.485 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VWD
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BU of 7vwd by Molmil
Crystal Structure of the Y53F/N55A mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
7VWM
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BU of 7vwm by Molmil
Crystal Structure of the Y53F/N55A/I116V mutant of LEH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Qu, G, Li, X, Sun, Z.T, Han, X, Liu, W.D.
Deposit date:2021-11-11
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles.
Nat Commun, 13, 2022
8I5Z
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BU of 8i5z by Molmil
LDH Mutant P101Q-(An unexpected single-point mutation triggers the unleashing of catalytic potential of a NADH-dependent dehydrogenase)
Descriptor: D-isomer specific 2-hydroxyacid dehydrogenase NAD-binding protein
Authors:Liu, J.Q.
Deposit date:2023-01-26
Release date:2023-09-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Characterization of the Pro101Gln mutation that enhances the catalytic performance of T. indicus NADH-dependent d-lactate dehydrogenase.
Structure, 31, 2023
7QXI
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BU of 7qxi by Molmil
Cryo-EM structure of RNA polymerase-sigma54 holo enzyme with promoter DNA closed complex
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2022-01-26
Release date:2022-11-09
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7QV9
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BU of 7qv9 by Molmil
CryoEM structure of bacterial transcription intermediate complex mediated by activator PspF
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA-directed RNA polymerase subunit alpha, ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2022-01-20
Release date:2022-11-09
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7QWP
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BU of 7qwp by Molmil
CryoEM structure of bacterial transcription close complex (RPc)
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Ye, F.Z, Zhang, X.D.
Deposit date:2022-01-25
Release date:2022-11-09
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mechanisms of DNA opening revealed in AAA+ transcription complex structures.
Sci Adv, 8, 2022
7CRW
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BU of 7crw by Molmil
Cryo-EM structure of rNLRP1-rDPP9 complex
Descriptor: Dipeptidyl peptidase 9, NLR family protein 1
Authors:Huang, M.H, Zhang, X.X, Wang, J, Chai, J.J.
Deposit date:2020-08-14
Release date:2021-03-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural and biochemical mechanisms of NLRP1 inhibition by DPP9.
Nature, 592, 2021
7CRV
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BU of 7crv by Molmil
Crystal structure of rNLRP1-FIIND
Descriptor: NLR family protein 1
Authors:Huang, M.H, Zhang, X.X, Wang, J, Chai, J.J.
Deposit date:2020-08-14
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biochemical mechanisms of NLRP1 inhibition by DPP9.
Nature, 592, 2021
6ABS
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BU of 6abs by Molmil
Actin interacting protein 5 (Aip5, mutant)
Descriptor: Actin binding protein, PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL
Authors:Sun, J, Ying, X, Toh, J, Hong, W, Miao, Y, Gao, Y.G.
Deposit date:2018-07-23
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Polarisome scaffolder Spa2-mediated macromolecular condensation of Aip5 for actin polymerization.
Nat Commun, 10, 2019
5U6I
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BU of 5u6i by Molmil
Discovery of MLi-2, an Orally Available and Selective LRRK2 Inhibitor that Reduces Brain Kinase Activity
Descriptor: 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Scott, J.D, DeMong, D.E, Fell, M.J, Mirescu, C, Basu, K, Greshock, T.J, Morrow, J.A, Xiao, L, Hruza, A, Harris, J, Tiscia, H.E, Chang, R.K, Embrey, M.W, McCauley, J.A, Li, W, Lin, S, Liu, H, Dai, X, Baptista, M, Agnihotri, G, Columbus, J, Mei, H, Poirier, M, Zhou, X, Lin, Y, Yin, Z, Sanders, J.M, Drolet, R.E, Kern, J.T, Kennedy, M.E, Parker, E.M, Stamford, A.W, Nargund, R, Miller, M.W.
Deposit date:2016-12-08
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.
J. Med. Chem., 60, 2017

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