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8FE8
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BU of 8fe8 by Molmil
Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
分子名称: 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ...
著者Rumrill, S, Ruiz, F.X, Arnold, E.
登録日2022-12-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
6XZ9
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BU of 6xz9 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one
分子名称: 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ...
著者Kuglstatter, A, Joseph, C, Benz, J.
登録日2020-02-03
公開日2020-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
6XZ8
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BU of 6xz8 by Molmil
Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide
分子名称: Cytochrome P450 11B2, mitochondrial, HEME C, ...
著者Kuglstatter, A, Joseph, C, Benz, J.
登録日2020-02-03
公開日2020-06-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
8HI5
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BU of 8hi5 by Molmil
Crystal structure of the NADP+ and MSA bound C terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
分子名称: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
著者Zhang, X, Wu, W.P, Xu, X.
登録日2022-11-18
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI4
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BU of 8hi4 by Molmil
Cryo-EM structure of the bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
分子名称: Short-chain dehydrogenase/reductase SDR
著者Zhang, X, Xu, X, Xin, J.
登録日2022-11-18
公開日2023-05-31
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
8HI6
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BU of 8hi6 by Molmil
Crystal structure of the NADP+ and MSA bound N terminal domain of bi-functional malonyl-CoA reductase from Roseiflexus castenholzii
分子名称: 3-oxidanylidenepropanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short-chain dehydrogenase/reductase SDR
著者Zhang, X, Wu, W.P, Xu, X.
登録日2022-11-18
公開日2023-05-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of a bi-functional malonyl-CoA reductase (MCR) from the photosynthetic green non-sulfur bacterium Roseiflexus castenholzii.
Mbio, 14, 2023
7ESX
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BU of 7esx by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wPip
分子名称: Bacteria factor 1
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESY
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BU of 7esy by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip
分子名称: Bacteria factor 1, CALCIUM ION, ULP_PROTEASE domain-containing protein
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.297 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ESZ
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BU of 7esz by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB with Mn2+ from wPip
分子名称: BACTERIA FACTOR A, BACTERIA FACTOR B, MANGANESE (II) ION
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.476 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7ET0
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BU of 7et0 by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip
分子名称: Bacteria factor A, Bacteria factor B
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
8SLR
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BU of 8slr by Molmil
Crystal Structure of mouse TRAIL
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pedersen, L.C, Xu, D.
登録日2023-04-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
8UGC
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BU of 8ugc by Molmil
FD15: Flat repeat helix-turn-helix-turn protein
分子名称: FD15
著者Davila-Hernandez, F, Bera, A.K, Kang, A, Baker, D.
登録日2023-10-05
公開日2023-12-27
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Directing polymorph specific calcium carbonate formation with de novo protein templates.
Nat Commun, 14, 2023
3P1G
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BU of 3p1g by Molmil
Crystal Structure of the Xenotropic Murine Leukemia Virus-Related Virus (XMRV) RNase H Domain
分子名称: MAGNESIUM ION, Xenotropic Murine Leukemia Virus-Related Virus (XMRV) RNase H Domain
著者Kirby, K.A, Sarafianos, S.G.
登録日2010-09-30
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Inhibition Studies of the RNase H Function of Xenotropic Murine Leukemia Virus-Related Virus Reverse Transcriptase.
Antimicrob.Agents Chemother., 56, 2012
3NBS
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BU of 3nbs by Molmil
Crystal structure of dimeric cytochrome c from horse heart
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
著者Taketa, M, Komori, H, Hirota, S, Higuchi, Y.
登録日2010-06-04
公開日2010-07-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
3NBT
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BU of 3nbt by Molmil
Crystal structure of trimeric cytochrome c from horse heart
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
著者Taketa, M, Komori, H, Hirota, S, Higuchi, Y.
登録日2010-06-04
公開日2010-07-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
3PMQ
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BU of 3pmq by Molmil
Crystal structure of the outer membrane decaheme cytochrome MtrF
分子名称: CALCIUM ION, Decaheme cytochrome c MtrF, HEME C
著者Clarke, T.A, Edwards, M.J, Richardson, D.J.
登録日2010-11-17
公開日2011-05-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of a bacterial cell surface decaheme electron conduit.
Proc.Natl.Acad.Sci.USA, 108, 2011
7VZF
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BU of 7vzf by Molmil
Cryo-EM structure of amyloid fibril formed by full-length human SOD1
分子名称: Superoxide dismutase [Cu-Zn]
著者Wang, L.Q, Ma, Y.Y, Yuan, H.Y, Zhao, K, Zhang, M.Y, Wang, Q, Huang, X, Xu, W.C, Chen, J, Li, D, Zhang, D.L, Zou, L.Y, Yin, P, Liu, C, Liang, Y.
登録日2021-11-16
公開日2022-06-29
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Cryo-EM structure of an amyloid fibril formed by full-length human SOD1 reveals its conformational conversion.
Nat Commun, 13, 2022
8J1I
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BU of 8j1i by Molmil
Crystal Structure of EphA8/SASH1 Complex
分子名称: Ephrin type-A receptor 8, SAM and SH3 domain-containing protein 1
著者Liu, W, Li, J, Ding, Y.
登録日2023-04-12
公開日2024-02-28
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献SASH1: A Novel Eph Receptor Partner and Insights into SAM-SAM Interactions.
J.Mol.Biol., 435, 2023
7YG3
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BU of 7yg3 by Molmil
Crystal structure of HLA-B*13:01
分子名称: ARG-GLN-ASP-ILE-LEU-ASP-LEU-TRP-ILE, Beta-2-microglobulin, MHC class I antigen
著者Wang, H.S, Ouyang, S.Y.
登録日2022-07-11
公開日2023-07-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Functional and structural characteristics of HLA-B*13:01-mediated specific T cells reaction in dapsone-induced drug hypersensitivity.
J.Biomed.Sci., 29, 2022
8J6P
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BU of 8j6p by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, ...
著者Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
登録日2023-04-26
公開日2023-12-06
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.55 Å)
主引用文献Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6R
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BU of 8j6r by Molmil
Cryo-EM structure of the MK-6892-bound human HCAR2-Gi1 complex
分子名称: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
登録日2023-04-26
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
8J6Q
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BU of 8j6q by Molmil
Cryo-EM structure of the 3-HB and compound 9n-bound human HCAR2-Gi1 complex
分子名称: (3R)-3-hydroxybutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, ...
著者Mao, C, Gao, M, Zang, S, Zhu, Y, Ma, X, Zhang, Y.
登録日2023-04-26
公開日2023-12-06
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Orthosteric and allosteric modulation of human HCAR2 signaling complex.
Nat Commun, 14, 2023
2OT5
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BU of 2ot5 by Molmil
Crystal structure of the HIV gp41 core with the enfuvirtide resistance mutation N43D
分子名称: HIV-1 gp41 glycoprotein
著者Bai, X, Seedorff, J.E, Green, J, Dwyer, J.J.
登録日2007-02-07
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
7DWS
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BU of 7dws by Molmil
The structure of T4 Lysozyme I3C/C54T/R125C/E128C complex with Zinc ions
分子名称: Endolysin, ZINC ION
著者Chen, X, Chen, S.
登録日2021-01-17
公開日2021-06-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally designed protein cross-linked hydrogel for bone regeneration via synergistic release of magnesium and zinc ions.
Biomaterials, 274, 2021
5XMC
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BU of 5xmc by Molmil
Crystal structure of the auto-inhibited Nedd4 family E3 ligase Itch
分子名称: E3 ubiquitin-protein ligase Itchy
著者Shan, Z, Wen, W.
登録日2017-05-13
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric auto-inhibition and activation of the Nedd4 family E3 ligase Itch
EMBO Rep., 18, 2017

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