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8ZEE
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BU of 8zee by Molmil
Cryo-EM structure of an intermediate-state PSII-PRF2' complex during the process of photosystem II repair
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, A, Liu, Z.
登録日2024-05-06
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for an early stage of the photosystem II repair cycle in Chlamydomonas reinhardtii.
Nat Commun, 15, 2024
8KDE
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BU of 8kde by Molmil
Cryo-EM structure of an intermediate-state complex during the process of photosystem II repair
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Li, A, Wang, Y, Liu, Z.
登録日2023-08-09
公開日2024-06-19
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for an early stage of the photosystem II repair cycle in Chlamydomonas reinhardtii.
Nat Commun, 15, 2024
5X5W
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BU of 5x5w by Molmil
Crystal structure of pseudorabies virus glycoprotein D
分子名称: GD, Nectin-1
著者Li, A, Lu, G, Qi, J, Wu, L, Tian, K, Luo, T, Shi, Y, Yan, J, Gao, G.F.
登録日2017-02-17
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of pseudorabies virus glycoprotein D
To Be Published
5X5V
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BU of 5x5v by Molmil
Crystal structure of pseudorabies virus glycoprotein D
分子名称: GD
著者Li, A, Lu, G, Qi, J, Wu, L, Tian, K, Luo, T, Shi, Y, Yan, J, Gao, G.F.
登録日2017-02-17
公開日2017-04-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of pseudorabies virus glycoprotein D
To Be Published
6LY4
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BU of 6ly4 by Molmil
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
分子名称: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ...
著者Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T.
登録日2020-02-13
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
8F8E
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BU of 8f8e by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
著者Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-11-21
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
2VAS
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BU of 2vas by Molmil
Myosin VI (MD-insert2-CaM, Delta-Insert1) Post-rigor state
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
著者Menetrey, J, Llinas, P, Cicolari, J, Squires, G, Liu, X, Li, A, Sweeney, H.L, Houdusse, A.
登録日2007-09-04
公開日2007-12-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Post-Rigor Structure of Myosin Vi and Implications for the Recovery Stroke.
Embo J., 27, 2008
2VB6
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BU of 2vb6 by Molmil
Myosin VI (MD-insert2-CaM, Delta Insert1) Post-rigor state (crystal form 2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, ...
著者Menetrey, J, Llinas, P, Cicolari, J, Squires, G, Liu, X, Li, A, Sweeney, H.L, Houdusse, A.
登録日2007-09-06
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Post-Rigor Structure of Myosin Vi and Implications for the Recovery Stroke.
Embo J., 27, 2008
6VAN
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BU of 6van by Molmil
Crystal structure of caltubin from the great pond snail
分子名称: 1,2-ETHANEDIOL, Caltubin, EF-hand, ...
著者Dong, A, Li, A, Zhang, Q, Barszczyk, A, Chern, Y.H, Arrowsmith, C.H, Edwards, A.M, Zhong, Z.P, Tong, Y, Structural Genomics Consortium (SGC)
登録日2019-12-17
公開日2020-12-23
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Cell-penetrating caltubin promotes neurite outgrowth and regrowth through calcium-dependent microtubule regulation
to be published
4JGV
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BU of 4jgv by Molmil
Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with THPN
分子名称: 1-(3,4,5-trihydroxyphenyl)nonan-1-one, GLYCEROL, Nuclear receptor subfamily 4 group A member 1
著者Zhang, Q, Li, F, Li, A, Tian, X, Wan, W, Wan, Y, Chen, H, Xing, Y, Wu, Q, Lin, T.
登録日2013-03-04
公開日2013-12-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Orphan nuclear receptor TR3 acts in autophagic cell death via mitochondrial signaling pathway.
Nat.Chem.Biol., 10, 2014
8TRG
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BU of 8trg by Molmil
Structure of full-length LexA bound to a RecA filament
分子名称: DNA (27-MER), LexA repressor, MAGNESIUM ION, ...
著者Cory, M.B, Li, A, Kohli, R.M.
登録日2023-08-09
公開日2023-11-15
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献The LexA-RecA* structure reveals a cryptic lock-and-key mechanism for SOS activation.
Nat.Struct.Mol.Biol., 2024
3HTO
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BU of 3hto by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
登録日2009-06-12
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
3HTQ
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BU of 3htq by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTc
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
登録日2009-06-12
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
3HTP
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BU of 3htp by Molmil
the hemagglutinin structure of an avian H1N1 influenza A virus in complex with LSTa
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
登録日2009-06-12
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
3HTT
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BU of 3htt by Molmil
The hemagglutinin structure of an avian H1N1 influenza A virus in complex with 2,3-sialyllactose
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Wang, G, Li, A, Zhang, Q, Wu, C, Zhang, R, Cai, Q, Song, W, Yuen, K.-Y.
登録日2009-06-12
公開日2009-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The hemagglutinin structure of an avian H1N1 influenza A virus
Virology, 392, 2009
7Y9J
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BU of 7y9j by Molmil
Crystal structure of P450 BM3-TMK from Bacillus megaterium in complex with 5-nitro-1,2-benzisoxazole
分子名称: 5-nitro-1,2-benzoxazole, Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-24
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
7Y9K
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BU of 7y9k by Molmil
Crystal structure of P450 BM3-TMK from Bacillus megaterium
分子名称: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Wang, Q, Zhang, L.L, Liu, W.D, Huang, J.-W, Yang, Y, Chen, C.-C, Guo, R.-T.
登録日2022-06-25
公開日2023-06-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Engineering of a P450-based Kemp eliminase with a new mechanism
Chinese J Catal, 47, 2023
2RBE
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BU of 2rbe by Molmil
The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors
分子名称: (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Jordan, S.R, Li, V.
登録日2007-09-18
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-06
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-13
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1012 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
分子名称: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
著者Kreusch, A, Rucker, P, Molteni, V, Loren, J.
登録日2015-03-09
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.0229 Å)
主引用文献(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7SSE
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BU of 7sse by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70
分子名称: DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine
著者Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-11-10
公開日2021-12-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
7NR4
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BU of 7nr4 by Molmil
X-RAY STRUCTURE OF PRMT6 IN COMPLEX WITH indazole type inhibitor
分子名称: (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE
著者Steuber, H.
登録日2021-03-02
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Rational Design and Synthesis of Selective PRMT4 Inhibitors: A New Chemotype for Development of Cancer Therapeutics*.
Chemmedchem, 16, 2021
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
著者Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-03-23
公開日2022-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
2WVR
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BU of 2wvr by Molmil
Human Cdt1:Geminin complex
分子名称: DNA REPLICATION FACTOR CDT1, GEMININ
著者De Marco, V, Perrakis, A.
登録日2009-10-19
公開日2009-10-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Quaternary Structure of the Human Cdt1-Geminin Complex Regulates DNA Replication Licensing.
Proc.Natl.Acad.Sci.USA, 106, 2009

 

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