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6SUB
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BU of 6sub by Molmil
Human PTPRU D1 domain, reduced form
分子名称: CHLORIDE ION, Receptor-type tyrosine-protein phosphatase U
著者Hay, I.M, Fearnley, G.W, Sharpe, H.J, Deane, J.E.
登録日2019-09-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献The receptor PTPRU is a redox sensitive pseudophosphatase.
Nat Commun, 11, 2020
3V2W
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BU of 3v2w by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera, ...
著者Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
登録日2011-12-12
公開日2012-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
3UYH
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BU of 3uyh by Molmil
Crystal structure of an intramolecular human telomeric DNA G-quadruplex bound by the naphthalene diimide compound, MM41
分子名称: 4,9-bis{[3-(4-methylpiperazin-1-yl)propyl]amino}-2,7-bis[3-(morpholin-4-yl)propyl]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, human telomeric DNA sequence
著者Collie, G.W, Neidle, S.
登録日2011-12-06
公開日2013-01-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and evaluation of naphthalene diimide g-quadruplex ligands as telomere targeting agents in pancreatic cancer cells.
J.Med.Chem., 56, 2013
4AAQ
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BU of 4aaq by Molmil
ATP-triggered molecular mechanics of the chaperonin GroEL
分子名称: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R.
登録日2011-12-05
公開日2012-12-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
4AAU
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BU of 4aau by Molmil
ATP-triggered molecular mechanics of the chaperonin GroEL
分子名称: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R.
登録日2011-12-05
公開日2012-12-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
3V2Y
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BU of 3v2y by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 2.80A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera (E.C.3.2.1.17), ...
著者Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
登録日2011-12-12
公開日2012-02-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
4AAR
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BU of 4aar by Molmil
ATP-triggered molecular mechanics of the chaperonin GroEL
分子名称: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R.
登録日2011-12-05
公開日2012-12-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
4AB2
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BU of 4ab2 by Molmil
ATP-triggered molecular mechanics of the chaperonin GroEL
分子名称: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R.
登録日2011-12-06
公開日2012-12-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
4AAS
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BU of 4aas by Molmil
ATP-triggered molecular mechanics of the chaperonin GroEL
分子名称: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R.
登録日2011-12-05
公開日2012-12-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
4AB3
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BU of 4ab3 by Molmil
ATP-triggered molecular mechanics of the chaperonin GroEL
分子名称: 60 KDA CHAPERONIN, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Clare, D.K, Vasishtan, D, Stagg, S, Quispe, J, Farr, G.W, Topf, M, Horwich, A.L, Saibil, H.R.
登録日2011-12-06
公開日2012-12-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献ATP-Triggered Conformational Changes Delineate Substrate-Binding and -Folding Mechanics of the Groel Chaperonin.
Cell(Cambridge,Mass.), 149, 2012
4OR2
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BU of 4or2 by Molmil
Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide, CHOLESTEROL, ...
著者Wu, H, Wang, C, Gregory, K.J, Han, G.W, Cho, H.P, Xia, Y, Niswender, C.M, Katritch, V, Cherezov, V, Conn, P.J, Stevens, R.C, GPCR Network (GPCR)
登録日2014-02-10
公開日2014-03-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator
Science, 344, 2014
4O9R
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BU of 4o9r by Molmil
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
4PXZ
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BU of 4pxz by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSADP
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
著者Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
登録日2014-03-25
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4NC3
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BU of 4nc3 by Molmil
Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHOLESTEROL, ...
著者Liu, W, Wacker, D, Gati, C, Han, G.W, James, D, Wang, D, Nelson, G, Weierstall, U, Katritch, V, Barty, A, Zatsepin, N.A, Li, D, Messerschmidt, M, Boutet, S, Williams, G.J, Koglin, J.E, Seibert, M.M, Wang, C, Shah, S.T.A, Basu, S, Fromme, R, Kupitz, C, Rendek, K.N, Grotjohann, I, Fromme, P, Kirian, R.A, Beyerlein, K.R, White, T.A, Chapman, H.N, Caffrey, M, Spence, J.C.H, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2013-10-23
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Serial femtosecond crystallography of G protein-coupled receptors.
Science, 342, 2013
4NTJ
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BU of 4ntj by Molmil
Structure of the human P2Y12 receptor in complex with an antithrombotic drug
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ...
著者Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
登録日2013-12-02
公開日2014-03-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
4R45
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BU of 4r45 by Molmil
Racemic crystal structure of a bimolecular DNA G-quadruplex (P-1)
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', POTASSIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R4A
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BU of 4r4a by Molmil
Racemic crystal structure of a cobalt-bound B-DNA duplex
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', COBALT (II) ION, SPERMINE
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R49
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BU of 4r49 by Molmil
Racemic crystal structure of a calcium-bound B-DNA duplex
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R48
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BU of 4r48 by Molmil
Racemic crystal structure of a calcium-bound DNA four-way junction
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
4R4D
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BU of 4r4d by Molmil
Racemic crystal structure of a magnesium-bound B-DNA duplex
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', MAGNESIUM ION, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
著者Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
登録日2014-03-25
公開日2014-04-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4QZV
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BU of 4qzv by Molmil
Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry
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, Dipeptidyl peptidase 4, ...
著者Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
登録日2014-07-29
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
4R47
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BU of 4r47 by Molmil
Racemic crystal structure of a bimolecular DNA G-quadruplex (P21/n)
分子名称: 5'-D(*GP*GP*GP*GP*TP*TP*TP*TP*GP*GP*GP*G)-3', MAGNESIUM ION, POTASSIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
4QIM
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BU of 4qim by Molmil
Structure of the human smoothened receptor in complex with ANTA XV
分子名称: 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION
著者Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
登録日2014-05-31
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QYY
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Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
分子名称: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
登録日2014-07-26
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014

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