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5SZO
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BU of 5szo by Molmil
Protocadherin Gamma B7 extracellular cadherin domains 1-4 P41212 crystal form
分子名称: CALCIUM ION, Protocadherin Gamma B7, alpha-D-mannopyranose, ...
著者Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
登録日2016-08-14
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.612 Å)
主引用文献gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
7JGZ
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BU of 7jgz by Molmil
Protocadherin gammaC4 EC1-4 crystal structure
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2020-07-20
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition.
Elife, 11, 2022
7KNE
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BU of 7kne by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-16
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KNI
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BU of 7kni by Molmil
Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-16
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
7KNB
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BU of 7knb by Molmil
Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4
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, Angiotensin-converting enzyme 2, ...
著者Gorman, J, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-09
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.93 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
1XNX
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BU of 1xnx by Molmil
Crystal structure of constitutive androstane receptor
分子名称: 16,17-ANDROSTENE-3-OL, constitutive androstane receptor
著者Fernandez, E.
登録日2004-10-05
公開日2005-01-04
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the murine constitutive androstane receptor complexed to androstenol; a molecular basis for inverse agonism
Mol.Cell, 16, 2004
5ZX1
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BU of 5zx1 by Molmil
Crystal structure of ENT domain from T. brucei
分子名称: ENT
著者Shanhui, L, Xiaoming, T, Juan, M.
登録日2018-05-17
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of an ENT domain from Trypanosoma brucei.
Biochem.Biophys.Res.Commun., 505, 2018
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
分子名称: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
著者Read, J.A, Patel, J.
登録日2022-11-01
公開日2023-06-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.508 Å)
主引用文献Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
登録日2012-09-19
公開日2013-02-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
5A86
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BU of 5a86 by Molmil
Structure of pregnane X receptor in complex with a Sphingosine 1- Phosphate Receptor 1 Antagonist
分子名称: 4-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide, NUCLEAR RECEPTOR COACTIVATOR 1, NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2
著者Xue, Y, Oster, L.
登録日2015-07-13
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity.
J.Med.Chem., 58, 2015
4WEJ
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BU of 4wej by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam
分子名称: (3R,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-[(5R)-5-hydroxy-4-oxo-4,5-dihydropyridin-2-yl]-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-3-(prop-2-en-1-yl)-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.045 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
6PWW
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BU of 6pww by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWV
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BU of 6pwv by Molmil
Cryo-EM structure of MLL1 core complex bound to the nucleosome
分子名称: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6PWX
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BU of 6pwx by Molmil
Cryo-EM structure of RbBP5 bound to the nucleosome
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U.
登録日2019-07-23
公開日2019-12-18
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-EM structure of the human MLL1 core complex bound to the nucleosome.
Nat Commun, 10, 2019
6W5N
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BU of 6w5n by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05)
分子名称: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
登録日2020-03-13
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
6W5I
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BU of 6w5i by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01)
分子名称: DNA (147-MER), Histone H2A, Histone H2B 1.1, ...
著者Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
登録日2020-03-13
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
6W5M
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BU of 6w5m by Molmil
Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02)
分子名称: DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ...
著者Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U.
登録日2020-03-13
公開日2021-03-31
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
4WEL
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BU of 4wel by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176
分子名称: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-3,10,10-trimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
4WEK
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BU of 4wek by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted vinyl monocarbam
分子名称: (3S,4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-3-ethenyl-4-formyl-1-[({3-(5-hydroxy-4-oxo-3,4-dihydropyridin-2-yl)-4-[3-(methylsulfonyl)propyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oic acid, Penicillin-binding protein 3
著者Ferguson, A.D.
登録日2014-09-10
公開日2015-04-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Acs Med.Chem.Lett., 6, 2015
5F9W
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BU of 5f9w by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of CH235-lineage antibody CH235, Light chain of CH235-lineage antibody CH235, ...
著者Chen, L, Zhou, T, Kwong, P.D.
登録日2015-12-10
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8911 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
5F96
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BU of 5f96 by Molmil
Crystal structure of broadly neutralizing VH1-46 germline-derived CD4-binding site-directed antibody CH235.12 in complex with HIV-1 clade A/E 93TH057 gp120
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEAVY CHAIN OF ANTIBODY CH235.12, ...
著者Zhou, T, Kwong, P.D.
登録日2015-12-09
公開日2016-03-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2407 Å)
主引用文献Maturation Pathway from Germline to Broad HIV-1 Neutralizer of a CD4-Mimic Antibody.
Cell, 165, 2016
6VRW
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BU of 6vrw by Molmil
Cryo-EM structure of stabilized HIV-1 Env trimer CAP256.wk34.c80 SOSIP.RnS2
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, Envelope glycoprotein gp120, ...
著者Gorman, J, Kwong, P.D.
登録日2020-02-10
公開日2020-03-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Structure of Super-Potent Antibody CAP256-VRC26.25 in Complex with HIV-1 Envelope Reveals a Combined Mode of Trimer-Apex Recognition.
Cell Rep, 31, 2020
1GPU
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BU of 1gpu by Molmil
Transketolase complex with reaction intermediate
分子名称: 2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-2-(1,2-DIHYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, CALCIUM ION, TRANSKETOLASE 1
著者Fiedler, E, Thorell, S, Sandalova, T, Koenig, S, Schneider, G.
登録日2001-11-09
公開日2002-02-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Snapshot of a Key Intermediate in Enzymatic Thiamin Catalysis: Crystal Structure of the Alpha-Carbanion of (Alpha,Beta-Dihydroxyethyl)-Thiamin Diphosphate in the Active Site of Transketolase from Saccharomyces Cerevisiae.
Proc.Natl.Acad.Sci.USA, 99, 2002
4YDI
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BU of 4ydi by Molmil
Crystal structure of broad and potently neutralizing VRC01-class antibody Z258-VRC27.01, isolated from human donor Z258, in complex with HIV-1 gp120 from clade A strain Q23.17
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp160, ...
著者Zhou, T, Srivatsan, S, Kwong, P.D.
登録日2015-02-22
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.452 Å)
主引用文献Structural Repertoire of HIV-1-Neutralizing Antibodies Targeting the CD4 Supersite in 14 Donors.
Cell, 161, 2015
2ADY
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BU of 2ady by Molmil
Structural Basis of DNA Recognition by p53 Tetramers (complex IV)
分子名称: 5'-D(*CP*GP*GP*AP*CP*AP*TP*GP*TP*CP*CP*G)-3', Cellular tumor antigen p53, ZINC ION
著者Kitayner, M, Rozenberg, H, Kessler, N, Rabinovich, D, Shakked, Z.
登録日2005-07-21
公開日2006-07-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis of DNA Recognition by p53 Tetramers
Mol.Cell, 22, 2006

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