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9LGL
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BU of 9lgl by Molmil
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 6
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-7-chloranyl-4-(2-methyl-5-oxidanyl-phenyl)-1H-1,5-naphthyridin-2-one, CHLORIDE ION, ...
Authors:Xu, Z.H, Chen, S.
Deposit date:2025-01-10
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of Naphthyridinone Derivatives as Selective and Potent PKMYT1 Inhibitors with Antitumor Efficacy.
J.Med.Chem., 68, 2025
9LID
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BU of 9lid by Molmil
Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 27
Descriptor: 4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, SULFATE ION
Authors:Xu, Z.H, Chen, S.
Deposit date:2025-01-14
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery of Naphthyridinone Derivatives as Selective and Potent PKMYT1 Inhibitors with Antitumor Efficacy.
J.Med.Chem., 68, 2025
5D58
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BU of 5d58 by Molmil
In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ...
Authors:Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D5D
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BU of 5d5d by Molmil
In meso in situ serial X-ray crystallography structure of AlgE at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Ma, P, Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D7G
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BU of 5d7g by Molmil
Structure of human ATG5 E122D-ATG16L1 complex at 3.0 Angstroms
Descriptor: Autophagy protein 5, Autophagy-related protein 16-1
Authors:Qiu, Y, Schulman, B.A.
Deposit date:2015-08-13
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mutation in ATG5 reduces autophagy and leads to ataxia with developmental delay.
Elife, 5, 2016
5D5F
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BU of 5d5f by Molmil
In meso in situ serial X-ray crystallography structure of lysozyme by bromine-SAD at 100 K
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D59
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BU of 5d59 by Molmil
In meso X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ...
Authors:Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D5C
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BU of 5d5c by Molmil
In meso in situ serial X-ray crystallography structure of lysozyme at 100 K
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D52
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BU of 5d52 by Molmil
In meso in situ serial X-ray crystallography structure of insulin at room temperature
Descriptor: Insulin A chain, Insulin B chain, PHOSPHATE ION
Authors:Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D54
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BU of 5d54 by Molmil
In meso X-ray crystallography structure of insulin at 100 K
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ...
Authors:Huang, C.-Y, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D57
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BU of 5d57 by Molmil
In meso X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Diacylglycerol kinase
Authors:Huang, C.-Y, Howe, N, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D5E
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BU of 5d5e by Molmil
In meso in situ serial X-ray crystallography structure of insulin by sulfur-SAD at 100 K
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Insulin A chain, Insulin B chain, ...
Authors:Huang, C.-Y, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D6I
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BU of 5d6i by Molmil
DgkA - CIM
Descriptor: Diacylglycerol kinase
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.091 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
6M6U
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BU of 6m6u by Molmil
Crystal structure the toxin-antitoxin MntA-HpeT mutant-D39ED41E
Descriptor: Toxin-antitoxin system antitoxin MntA family, Toxin-antitoxin system toxin HepN family
Authors:Ouyang, S.Y, Zhen, X.K.
Deposit date:2020-03-16
Release date:2020-09-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Novel polyadenylylation-dependent neutralization mechanism of the HEPN/MNT toxin/antitoxin system.
Nucleic Acids Res., 48, 2020
7B0I
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BU of 7b0i by Molmil
Structure of a minimal SF3B core in complex with spliceostatin A (form II)
Descriptor: PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3,Splicing factor 3B subunit 3,Splicing factor 3B subunit 3, ...
Authors:Cretu, C, Pena, V.
Deposit date:2020-11-19
Release date:2021-08-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors.
Nat Commun, 12, 2021
8R7N
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BU of 8r7n by Molmil
Overall structure of the U11 snRNP
Descriptor: Programmed cell death protein 7, Small nuclear ribonucleoprotein E, Small nuclear ribonucleoprotein F, ...
Authors:Zhao, J, Galej, W.P.
Deposit date:2023-11-26
Release date:2025-02-05
Last modified:2025-02-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of 5' splice site recognition by the minor spliceosome.
Mol.Cell, 85, 2025
7FFI
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BU of 7ffi by Molmil
Diarylpentanoid-producing polyketide synthase (F340W mutant)
Descriptor: Type III polyketide synthase
Authors:Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y.
Deposit date:2021-07-23
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
7FFG
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BU of 7ffg by Molmil
Diarylpentanoid-producing polyketide synthase (N199F mutant)
Descriptor: Type III polyketide synthase
Authors:Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y.
Deposit date:2021-07-23
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
7FFA
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BU of 7ffa by Molmil
Diarylpentanoid-producing polyketide synthase from Aquilaria sinensis
Descriptor: Type III polyketide synthase
Authors:Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y.
Deposit date:2021-07-23
Release date:2022-01-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
7FFC
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BU of 7ffc by Molmil
Diarylpentanoid-producing polyketide synthase (A210E mutant)
Descriptor: GLYCEROL, Type III polyketide synthase
Authors:Morita, H, Wong, C.P, Liu, Q, Kodama, T, Lee, Y, Nakashima, Y.
Deposit date:2021-07-23
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
7FFH
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BU of 7ffh by Molmil
Diarylpentanoid-producing polyketide synthase (N199L mutant)
Descriptor: Type III polyketide synthase
Authors:Morita, H, Wong, C.P, Liu, Q, Takeshi, K, Lee, Y, Nakashima, Y.
Deposit date:2021-07-23
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of a diarylpentanoid-producing polyketide synthase revealing an unusual biosynthetic pathway of 2-(2-phenylethyl)chromones in agarwood.
Nat Commun, 13, 2022
9U9B
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BU of 9u9b by Molmil
HBsAg in complex with HBC34 Fab
Descriptor: HBC34 Fab Heavy Chain, HBC34 Fab Light Chain, Middle S protein
Authors:Chen, L, He, X.
Deposit date:2025-03-27
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural polymorphism of the antigenic loop in HBV surface antigen dictates binding of diverse neutralizing antibodies.
Cell Discov, 11, 2025
8HZ8
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BU of 8hz8 by Molmil
Structure of PPIA in complex with the peptide of NRF2
Descriptor: NRF2 peptide, Peptidyl-prolyl cis-trans isomerase A, N-terminally processed
Authors:Wanyan, W, Hui, M, Jin, H, Lu, W.
Deposit date:2023-01-08
Release date:2024-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:PPIA dictates NRF2 stability to promote lung cancer progression.
Nat Commun, 15, 2024
9LSM
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BU of 9lsm by Molmil
The crystal structure of PDE5A with L9
Descriptor: 1-[(13~{S},15~{R})-4-bromanyl-15-(3-chloranyl-4-methoxy-phenyl)-8,12,16-triazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8-pentaen-12-yl]ethanone, MAGNESIUM ION, SULFATE ION, ...
Authors:Wu, D, Huang, Y.-Y, Luo, H.-B.
Deposit date:2025-02-04
Release date:2025-06-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Plasma metabolites-based drug design: Discovery of novel and highly selective phosphodiesterase 5 inhibitors
Chin.Chem.Lett., 2025
9NNR
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BU of 9nnr by Molmil
GNAT family acetyltransferase EryM in complex with Acetyl-CoA
Descriptor: ACETYL COENZYME *A, GLYCEROL, Lysine N-acyltransferase MbtK, ...
Authors:Li, Y, Smith, J.
Deposit date:2025-03-06
Release date:2025-05-28
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Redefining the role of the EryM acetyltransferase in natural product biosynthetic pathways.
Structure, 2025

238582

数据于2025-07-09公开中

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