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6AI9
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Cab2 mutant-H337A complex with phosphopantothenate
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
5ZYW
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BU of 5zyw by Molmil
The crystal structure of apo-HsMGME1 with Mn2+
分子名称: GLYCEROL, L(+)-TARTARIC ACID, MANGANESE (II) ION, ...
著者Yang, C, Gan, J.
登録日2018-05-28
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural insights into DNA degradation by human mitochondrial nuclease MGME1
Nucleic Acids Res., 46, 2018
6AI8
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BU of 6ai8 by Molmil
Cab2 mutant-H337A
分子名称: GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6AIP
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BU of 6aip by Molmil
Cab2 mutant-H337A complex with phosphopantothenoylcystine
分子名称: (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6AIK
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BU of 6aik by Molmil
Cab2 mutant H337A complex with phosphopantothenoyl-CMP
分子名称: PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6BA6
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BU of 6ba6 by Molmil
Solution structure of Rap1b/talin complex
分子名称: Ras-related protein Rap-1b, Talin-1
著者Zhu, L, Yang, J, Qin, J.
登録日2017-10-12
公開日2017-12-06
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation.
Nat Commun, 8, 2017
7DNC
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BU of 7dnc by Molmil
Crystal structure of EV71 3C proteinase in complex with a novel inhibitor
分子名称: 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2020-12-09
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
7CBQ
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BU of 7cbq by Molmil
Crystal structure of PDE4D catalytic domain in complex with Apremilast
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ...
著者Zhang, X.L, Xu, Y.C.
登録日2020-06-13
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
7CBJ
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BU of 7cbj by Molmil
Crystal structure of PDE4D catalytic domain in complex with compound 36
分子名称: (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2020-06-12
公開日2021-06-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Eur.J.Med.Chem., 211, 2021
6ENK
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BU of 6enk by Molmil
The X-ray crystal structure of DesE bound to desferrioxamine B
分子名称: DesE, SODIUM ION, desferrioxamine B
著者Naismith, J.H, McMahon, S.A, Challis, G.L, Kadi, N, Oke, M, Liu, H, Carter, L.G, Johnson, K.A.
登録日2017-10-05
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Desferrioxamine biosynthesis: diverse hydroxamate assembly by substrate-tolerant acyl transferase DesC.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
7DMF
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BU of 7dmf by Molmil
A de novo protein that rigidly extends the structure of tVHS-like domain in tepsin with a new designed domain
分子名称: Designed protein EXTD-3
著者Xu, Y.
登録日2020-12-03
公開日2021-12-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
1IKG
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BU of 1ikg by Molmil
MICHAELIS COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
分子名称: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
著者Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
登録日2001-05-03
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
7X98
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BU of 7x98 by Molmil
5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris
分子名称: 5-aminolevulinate synthase
著者Zhang, T.T, Liu, H.P.
登録日2022-03-15
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of 5-Aminolevulinate synthase HemA from Rhodopseudomonas palustris presents multiple conformations.
Biochem.Biophys.Res.Commun., 609, 2022
1IKI
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BU of 1iki by Molmil
COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT
分子名称: D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE
著者Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A.
登録日2001-05-03
公開日2002-09-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins.
J.Mol.Biol., 322, 2002
7E9G
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BU of 7e9g by Molmil
Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2
分子名称: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, DN13, ...
著者Lin, S, Han, S, Zhao, Q, Wu, B.
登録日2021-03-04
公開日2021-06-23
最終更新日2021-08-04
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Nature, 594, 2021
7E9H
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Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu4
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-3, ...
著者Lin, S, Han, S, Zhao, Q, Wu, B.
登録日2021-03-04
公開日2021-06-23
最終更新日2021-07-07
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Nature, 594, 2021
1HVB
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BU of 1hvb by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES R61 DD-PEPTIDASE COMPLEXED WITH A NOVEL CEPHALOSPORIN ANALOG OF CELL WALL PEPTIDOGLYCAN
分子名称: 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-PROPYL}-2-( CARBOXY-PHENYLACETYLAMINO-METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE
著者McDonough, M.A, Lee, W, Silvaggi, N.R, Mobashery, S, Kelly, J.A.
登録日2001-01-08
公開日2001-02-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献A 1.2-A snapshot of the final step of bacterial cell wall biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
1F1G
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BU of 1f1g by Molmil
Crystal structure of yeast cuznsod exposed to nitric oxide
分子名称: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, PHOSPHATE ION, ...
著者Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
登録日2000-05-18
公開日2002-12-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
1F18
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Crystal structure of yeast copper-zinc superoxide dismutase mutant GLY85ARG
分子名称: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
登録日2000-05-18
公開日2002-12-18
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
1F1A
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BU of 1f1a by Molmil
Crystal structure of yeast H48Q cuznsod fals mutant analog
分子名称: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
登録日2000-05-18
公開日2002-12-18
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
1F1D
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BU of 1f1d by Molmil
Crystal structure of yeast H46C cuznsod mutant
分子名称: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, ZINC ION
著者Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
登録日2000-05-18
公開日2002-12-18
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
8HNB
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Cryo-EM structure of human OATP1B1 in apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Solute carrier organic anion transporter family member 1B1
著者Shan, Z, Yang, X, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
8HNH
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Cryo-EM structure of human OATP1B1 in complex with simeprevir
分子名称: (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shan, Z, Yang, X, Zhang, Y.
登録日2022-12-07
公開日2023-09-13
最終更新日2023-12-20
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-EM structures of human organic anion transporting polypeptide OATP1B1.
Cell Res., 33, 2023
7WEJ
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Crystal structure of the mouse Wdr47 NTD.
分子名称: WD repeat-containing protein 47
著者Ren, J.Q, Li, D, Feng, W.
登録日2021-12-23
公開日2022-11-30
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Intertwined Wdr47-NTD dimer recognizes a basic-helical motif in Camsap proteins for proper central-pair microtubule formation.
Cell Rep, 41, 2022
7WEK
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Crystal structure of the mouse Wdr47 NTD in complex with the WBR motif form Camsap3.
分子名称: WBR motif form Calmodulin-regulated spectrin-associated protein 3, WD repeat-containing protein 47
著者Ren, J.Q, Li, D, Feng, W.
登録日2021-12-23
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Intertwined Wdr47-NTD dimer recognizes a basic-helical motif in Camsap proteins for proper central-pair microtubule formation.
Cell Rep, 41, 2022

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