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5XRA
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BU of 5xra by Molmil
Crystal structure of the human CB1 in complex with agonist AM11542
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ...
著者Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
登録日2017-06-08
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
6IEV
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Crystal structure of a designed protein
分子名称: Designed protein
著者Han, M, Liao, S, Chen, Q, Liu, H.
登録日2018-09-17
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Selection and analyses of variants of a designed protein suggest importance of hydrophobicity of partially buried sidechains for protein stability at high temperatures.
Protein Sci., 28, 2019
5XR8
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Crystal structure of the human CB1 in complex with agonist AM841
分子名称: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ...
著者Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
登録日2017-06-07
公開日2017-07-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
4O9R
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Human Smoothened Receptor structure in complex with cyclopamine
分子名称: Cyclopamine, Smoothened homolog/Soluble cytochrome b562 chimeric protein
著者Wang, C, Weierstall, U, James, D, White, T.A, Wang, D, Liu, W, Spence, J.C.H, Doak, R.B, Nelson, G, Fromme, P, Fromme, R, Grotjohann, I, Kupitz, C, Zatsepin, N.A, Liu, H, Basu, S, Wacker, D, Han, G.W, Katritch, V, Boutet, S, Messerschmidt, M, Willams, G.J, Koglin, J.E, Seibert, M.M, Klinker, M, Gati, C, Shoeman, R.L, Barty, A, Chapman, H.N, Kirian, R.A, Beyerlein, K.R, Stevens, R.C, Li, D, Shah, S.T.A, Howe, N, Caffrey, M, Cherezov, V, GPCR Network (GPCR)
登録日2014-01-02
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.204 Å)
主引用文献Lipidic cubic phase injector facilitates membrane protein serial femtosecond crystallography.
Nat Commun, 5, 2014
3J6Q
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BU of 3j6q by Molmil
Identification of the active sites in the methyltransferases of a transcribing dsRNA virus
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, Structural protein VP3
著者Zhu, B, Yang, C, Liu, H, Cheng, L, Song, F, Zeng, S, Huang, X, Ji, G, Zhu, P.
登録日2014-03-20
公開日2014-10-08
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Identification of the active sites in the methyltransferases of a transcribing dsRNA virus.
J.Mol.Biol., 426, 2014
6DDA
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Nurr1 Covalently Modified by a Dopamine Metabolite
分子名称: 5-hydroxy-1,2-dihydro-6H-indol-6-one, BROMIDE ION, Nuclear receptor subfamily 4 group A member 2, ...
著者Bruning, J.M, Wang, Y, Otrabella, F, Boxue, T, Liu, H, Bhattacharya, P, Guo, S, Holton, J.M, Fletterick, R.J, Jacobson, M.P, England, P.M.
登録日2018-05-09
公開日2019-03-20
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Covalent Modification and Regulation of the Nuclear Receptor Nurr1 by a Dopamine Metabolite.
Cell Chem Biol, 26, 2019
2BKQ
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NEDD8 protease
分子名称: SENTRIN-SPECIFIC PROTEASE 8
著者Shen, L.N, Liu, H, Dong, C, Xirodimas, D, Naismith, J.H, Hay, R.T.
登録日2005-02-18
公開日2005-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Nedd8 Ubiquitin Discrimination by the Deneddylating Enzyme Nedp1
Embo J., 24, 2005
2BKR
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NEDD8 NEDP1 complex
分子名称: NEDDYLIN, SENTRIN-SPECIFIC PROTEASE 8
著者Shen, L.N, Liu, H, Dong, C, Xirodimas, D, Naismith, J.H, Hay, R.T.
登録日2005-02-18
公開日2005-09-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Nedd8 Ubiquitin Discrimination by the Deneddylating Enzyme Nedp1
Embo J., 24, 2005
2ALW
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BU of 2alw by Molmil
Golgi alpha-mannosidase II complex with Noeuromycin
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Bols, M.B, Liu, H, Rose, D.R.
登録日2005-08-08
公開日2006-07-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The role of the active site Zn in the catalytic mechanism of the GH38 Golgi alpha-mannosidase II: implications from noeuromycin inhibition
Biocatal.Biotransfor., 34, 2006
2CKH
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BU of 2ckh by Molmil
SENP1-SUMO2 complex
分子名称: SENTRIN-SPECIFIC PROTEASE 1, SMALL UBIQUITIN-RELATED MODIFIER 2
著者Shen, L.N, Dong, C, Liu, H, Hay, R.T, Naismith, J.H.
登録日2006-04-18
公開日2006-04-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structure of Senp1-Sumo-2 Complex Suggests a Structural Basis for Discrimination between Sumo Paralogues During Processing.
Biochem.J., 397, 2006
4PBU
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BU of 4pbu by Molmil
Serial Time-resolved crystallography of Photosystem II using a femtosecond X-ray laser The S1 state
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, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ...
著者Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R.A, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
登録日2014-04-13
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
3SJ8
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Crystal structure of the 3C protease from coxsackievirus A16
分子名称: 3C protease
著者Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
登録日2011-06-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
3SJO
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BU of 3sjo by Molmil
structure of EV71 3C in complex with Rupintrivir (AG7088)
分子名称: 3C protease, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
著者Lu, G, Qi, J, Chen, Z, Xu, X, Gao, F, Lin, D, Qian, W, Liu, H, Jiang, H, Yan, J, Gao, G.F.
登録日2011-06-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Enterovirus 71 and Coxsackievirus A16 3C Proteases: Binding to Rupintrivir and Their Substrates and Anti-Hand, Foot, and Mouth Disease Virus Drug Design.
J.Virol., 85, 2011
2W02
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BU of 2w02 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with ATP from Pectobacterium Chrysanthemi
分子名称: ACSD, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献AcsD catalyzes enantioselective citrate desymmetrization in siderophore biosynthesis.
Nat. Chem. Biol., 5, 2009
2W82
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The structure of ArdA
分子名称: ORF18
著者McMahon, S.A, Roberts, G.A, Carter, L.G, Cooper, L.P, Liu, H, White, J.H, Johnson, K.A, Sanghvi, B, Oke, M, Walkinshaw, M.D, Blakely, G, Naismith, J.H, Dryden, D.T.F.
登録日2009-01-08
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Extensive DNA Mimicry by the Arda Anti-Restriction Protein and its Role in the Spread of Antibiotic Resistance.
Nucleic Acids Res., 37, 2009
2W0M
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Crystal Structure of sso2452 from Sulfolobus solfataricus P2
分子名称: PYROPHOSPHATE 2-, SSO2452, ZINC ION
著者McRobbie, A, Carter, L, Johnson, K.A, Kerou, M, Liu, H, Mcmahon, S, Oke, M, Naismith, J.H, White, M.F.
登録日2008-08-19
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Characterisation of a Conserved Archaeal Rada Paralog with Antirecombinase Activity.
J.Mol.Biol., 389, 2009
2XU8
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Structure of Pa1645
分子名称: PA1645, SULFATE ION
著者Abdelli, W.B, Moynie, L, McMahon, S.A, Liu, H, Alphey, M.S, Naismith, J.H.
登録日2010-10-15
公開日2010-12-29
最終更新日2015-08-19
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
2XVO
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SSO1725, a protein involved in the CRISPR/Cas pathway
分子名称: BETA-MERCAPTOETHANOL, SSO1725, SULFATE ION
著者Reeks, J, Liu, H, Naismith, J, White, M, McMahon, S.
登録日2010-10-26
公開日2010-12-29
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure and Mechanism of the Cmr Complex for Crispr-Mediated Antiviral Immunity.
Mol.Cell, 45, 2012
4EGL
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BU of 4egl by Molmil
Crystal structure of two tandem RNA recognition motifs of Human antigen R
分子名称: ELAV-like protein 1, GLYCEROL, SULFATE ION
著者Wang, H, Zeng, F, Liu, H, Teng, M, Li, X.
登録日2012-03-31
公開日2012-05-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of two tandem RNA recognition motifs of Human antigen R
To be Published
2VH3
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ranasmurfin
分子名称: GLYCEROL, RANASMURFIN, SULFATE ION, ...
著者Oke, M, Ching, R.T, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, Bloch Junior, C, Botting, C.H, Walsh, M.A, Latiff, A.A, Kennedy, M.W, Cooper, A, Naismith, J.H.
登録日2007-11-17
公開日2007-12-04
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Unusual Chromophore and Cross-Links in Ranasmurfin: A Blue Protein from the Foam Nests of a Tropical Frog.
Angew.Chem.Int.Ed.Engl., 47, 2008
2VA8
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DNA Repair Helicase Hel308
分子名称: SKI2-TYPE HELICASE, SULFATE ION
著者Johnson, K.A, Richards, J, Liu, H, McMahon, S, Oke, M, Carter, L, Naismith, J.H, White, M.F.
登録日2007-08-30
公開日2008-01-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the DNA Repair Helicase Hel308 Reveals DNA Binding and Autoinhibitory Domains.
J.Biol.Chem., 283, 2008
2VHS
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Cathsilicatein, a chimera
分子名称: CATHSILICATEIN, SULFATE ION
著者Fairhead, M, Kowatz, T, McMahon, S.A, Carter, L.G, Oke, M, Johnson, K.A, Liu, H, Naismith, J.H, Wal, C.F.V.D.
登録日2007-11-24
公開日2008-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure and Silica Condensing Activities of Silicatein Alpha-Cathepsin L Chimeras.
Chem. Commun., 2008
2W03
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BU of 2w03 by Molmil
Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with adenosine, sulfate and citrate from Pectobacterium Chrysanthemi
分子名称: ACSD, ADENOSINE, CITRIC ACID, ...
著者Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
7JT0
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Crystal structure of SARS-CoV-2 3CL protease in complex with MAC5576
分子名称: 3C-like proteinase, PHOSPHATE ION, thiophene-2-carbaldehyde
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Huang, Y, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-16
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021
7JW8
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Crystal structure of SARS-CoV-2 3CL protease in complex with compound 4 in space group P1
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase, ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Iketani, S, Forouhar, F, Liu, H, Hong, S.J, Lin, F.-Y, Nair, M.S, Zask, A, Xing, L, Stockwell, B.R, Chavez, A, Ho, D.D.
登録日2020-08-25
公開日2021-03-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Lead compounds for the development of SARS-CoV-2 3CL protease inhibitors.
Nat Commun, 12, 2021

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