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8H0F
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Crystal structure of collagen heterotrimer with KD,ER and KE axial pairs
分子名称: collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C
著者Fan, S.
登録日2022-09-28
公開日2023-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
8H0E
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BU of 8h0e by Molmil
Crystal structure of collagen heterotrimer with KD, ER and KE axial pairs
分子名称: collagen-like peptide chain A, collagen-like peptide chain B, collagen-like peptide chain C
著者Fan, S.
登録日2022-09-28
公開日2023-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
8GZO
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BU of 8gzo by Molmil
Crystal structure of collagen heterotrimer with K, D, E, R residuesC
分子名称: collagen-like peptide
著者Fan, S.
登録日2022-09-27
公開日2023-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Stability of collagen heterotrimer with same charge pattern and different charged residue identities.
Biophys.J., 122, 2023
2OFS
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BU of 2ofs by Molmil
Crystal structure of human CD59
分子名称: CD59 glycoprotein
著者Davies, C.
登録日2007-01-04
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of CD59: implications for molecular recognition of the complement proteins C8 and C9 in the membrane-attack complex.
Acta Crystallogr.,Sect.D, 63, 2007
6XEY
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BU of 6xey by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4
分子名称: 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rapp, M, Shapiro, L, Ho, D.D.
登録日2020-06-14
公開日2020-07-22
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike.
Nature, 584, 2020
3TYQ
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SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
分子名称: 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase
著者Lesburg, C.A, Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3TYV
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SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
分子名称: N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide, PHOSPHATE ION, RNA-directed RNA polymerase
著者Lesburg, C.A, Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
5JDH
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BU of 5jdh by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CALCIUM ION, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDN
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Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDM
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BU of 5jdm by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.558 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDG
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BU of 5jdg by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Ca2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDL
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BU of 5jdl by Molmil
Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Sr2+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.904 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
4N75
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BU of 4n75 by Molmil
Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
分子名称: Outer membrane protein assembly factor BamA
著者Ni, D.C.
登録日2013-10-14
公開日2014-04-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Structural and functional analysis of the beta-barrel domain of BamA from Escherichia coli.
Faseb J., 28, 2014
7SI2
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BU of 7si2 by Molmil
Crystal structure of neutralizing antibody 10-28 in complex with SARS-CoV-2 spike receptor binding domain (RBD)
分子名称: 10-28 Heavy Chain, 10-28 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Shapiro, L.
登録日2021-10-12
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
7SD5
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BU of 7sd5 by Molmil
Crystallographic structure of neutralizing antibody 10-40 in complex with SARS-CoV-2 spike receptor binding domain
分子名称: 10-40 Heavy chain, 10-40 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Reddem, E.R, Casner, R.G, Shapiro, L.
登録日2021-09-29
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
1WJF
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BU of 1wjf by Molmil
SOLUTION STRUCTURE OF H12C MUTANT OF THE N-TERMINAL ZN BINDING DOMAIN OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM, NMR, 40 STRUCTURES
分子名称: CADMIUM ION, HIV-1 INTEGRASE
著者Cai, M, Gronenborn, A.M, Clore, G.M.
登録日1998-06-11
公開日1998-12-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the His12 --> Cys mutant of the N-terminal zinc binding domain of HIV-1 integrase complexed to cadmium.
Protein Sci., 7, 1998
7YP2
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BU of 7yp2 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement)
分子名称: 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YOY
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BU of 7yoy by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement)
分子名称: 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
7YP1
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BU of 7yp1 by Molmil
Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement)
分子名称: 10E4 heavy chain, 10E4 light chain, EBV gH, ...
著者Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N.
登録日2022-08-02
公開日2024-01-31
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
2QRA
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BU of 2qra by Molmil
Crystal structure of XIAP BIR1 domain (P21 form)
分子名称: Baculoviral IAP repeat-containing protein 4, ETHANOL, ZINC ION
著者Lin, S.-C.
登録日2007-07-27
公開日2007-09-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the BIR1 domain of XIAP in two crystal forms
J.Mol.Biol., 372, 2007
6XAE
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BU of 6xae by Molmil
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
分子名称: Nuclear receptor ROR-gamma, trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
著者Sack, J.S.
登録日2020-06-04
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 30, 2020
8IER
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BU of 8ier by Molmil
Cryo-EM structure of ATP13A2 in the putative of E2 state
分子名称: Polyamine-transporting ATPase 13A2, SPERMINE
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (4.87 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
著者Yang, J, Wang, Y, Zhang, G.
登録日2023-03-01
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
4Y87
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BU of 4y87 by Molmil
Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one)
分子名称: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, M.
登録日2015-02-16
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4Y86
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Crystal structure of PDE9 in complex with racemic inhibitor C33
分子名称: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ...
著者Huang, M.
登録日2015-02-16
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015

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