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8G6T
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BU of 8g6t by Molmil
Bromodomain of CBP liganded with inhibitor iCBP2
分子名称: (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein, NICKEL (II) ION
著者Schonbrunn, E, Bikowitz, M.
登録日2023-02-15
公開日2024-02-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
5C4S
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BU of 5c4s by Molmil
Identification of a Novel Allosteric Binding Site for RORgt Inhibitors
分子名称: 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, GLYCEROL, Nuclear receptor ROR-gamma
著者Parthasarathy, G, Soisson, S.
登録日2015-06-18
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Identification of an allosteric binding site for ROR gamma t inhibition.
Nat Commun, 6, 2015
7XIC
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BU of 7xic by Molmil
S-ECD (Omicron) in complex with STS165
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, Spike glycoprotein, ...
著者Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2022-04-12
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
7XID
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BU of 7xid by Molmil
S-ECD (Omicron) in complex with PD of ACE2
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Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H.
登録日2022-04-12
公開日2022-06-15
最終更新日2022-06-22
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural and functional analysis of an inter-Spike bivalent neutralizing antibody against SARS-CoV-2 variants.
Iscience, 25, 2022
7WWF
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BU of 7wwf by Molmil
Crystal structure of BioH3 from Mycolicibacterium smegmatis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Esterase
著者Yang, J, Xu, Y.C, Gan, J.H, Feng, Y.J.
登録日2022-02-12
公開日2022-07-06
最終更新日2023-01-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Three enigmatic BioH isoenzymes are programmed in the early stage of mycobacterial biotin synthesis, an attractive anti-TB drug target.
Plos Pathog., 18, 2022
8GA2
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BU of 8ga2 by Molmil
Bromodomain of CBP liganded with inhibitor iCBP5
分子名称: (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Schonbrunn, E, Bikowitz, M.
登録日2023-02-22
公開日2024-02-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
7XY9
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BU of 7xy9 by Molmil
Cryo-EM structure of secondary alcohol dehydrogenases TbSADH after carrier-free immobilization based on weak intermolecular interactions
分子名称: MAGNESIUM ION, NADP-dependent isopropanol dehydrogenase, ZINC ION
著者Chen, Q, Li, X, Yang, F, Qu, G, Sun, Z.T, Wang, Y.J.
登録日2022-06-01
公開日2023-06-07
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Active and stable alcohol dehydrogenase-assembled hydrogels via synergistic bridging of triazoles and metal ions.
Nat Commun, 14, 2023
6XLV
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BU of 6xlv by Molmil
Crystal structure of leukemia-associated N196K mutant of U2AF65 bound to AdML splice site
分子名称: DNA/RNA (5'-R(P*UP*UP*(UD)P*UP*U)-D(P*(BRU))-R(P*CP*C)-3'), Splicing factor U2AF 65 kDa subunit
著者Maji, D, Jenkins, J.L, Kielkopf, C.L.
登録日2020-06-29
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Representative cancer-associated U2AF2 mutations alter RNA interactions and splicing.
J.Biol.Chem., 295, 2020
7WS2
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BU of 7ws2 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 510A5 heavy chain, 510A5 light chain, Spike protein S1
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS8
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BU of 7ws8 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, Processed angiotensin-converting enzyme 2, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS0
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BU of 7ws0 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS6
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BU of 7ws6 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 510A5 heavy chain, 510A5 light chain, Spike protein S1
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WSA
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BU of 7wsa by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS7
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BU of 7ws7 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 510A5 heavy chain, 510A5 light chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS3
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BU of 7ws3 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS9
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BU of 7ws9 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, Processed angiotensin-converting enzyme 2, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS4
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BU of 7ws4 by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
7WS5
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BU of 7ws5 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
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, 510A5 heavy chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
6RZH
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BU of 6rzh by Molmil
Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.947 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6RZG
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BU of 6rzg by Molmil
Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.015 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
6RZF
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BU of 6rzf by Molmil
Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2019-06-13
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.016 Å)
主引用文献Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C.
Jacs Au, 1, 2021
3ZUO
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BU of 3zuo by Molmil
OMCI in complex with leukotriene B4
分子名称: COMPLEMENT INHIBITOR, LEUKOTRIENE B4
著者Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A.
登録日2011-07-19
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
3BNA
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BU of 3bna by Molmil
REVERSIBLE BENDING AND HELIX GEOMETRY IN A B-DNA DODECAMER: CGCGAATTBRCGCG
分子名称: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(CBR)P*GP*CP*G)-3')
著者Kopka, M.L, Fratini, A.V, Dickerson, R.E.
登録日1982-02-16
公開日1982-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Reversible bending and helix geometry in a B-DNA dodecamer: CGCGAATTBrCGCG.
J.Biol.Chem., 257, 1982
3ZUI
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BU of 3zui by Molmil
OMCI in complex with palmitoleic acid
分子名称: COMPLEMENT INHIBITOR, PALMITOLEIC ACID
著者Roversi, P, Maillet, I, Togbe, D, Couillin, I, Quesniaux, V.F.J, Teixeira, M, Ahmat, N, Lissina, O, Boland, W, Ploss, K, Caesar, J.J.E, Leonhartsberger, S, Ryffel, B, Lea, S.M, Nunn, M.A.
登録日2011-07-19
公開日2012-08-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Bifunctional Lipocalin Ameliorates Murine Immune Complex-Induced Acute Lung Injury.
J.Biol.Chem., 288, 2013
6PP9
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BU of 6pp9 by Molmil
Crystal structure of BRAF:MEK1 complex
分子名称: 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Li, K, Gonzalez Del-Pino, G, Park, E, Eck, M.J.
登録日2019-07-05
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019

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