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6CVH
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BU of 6cvh by Molmil
Identification and biological evaluation of thiazole-based inverse agonists of RORgt
分子名称: Nuclear receptor ROR-gamma, trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
著者Spurlino, J, Milligan, C.
登録日2018-03-28
公開日2018-04-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Identification and biological evaluation of thiazole-based inverse agonists of ROR gamma t.
Bioorg. Med. Chem. Lett., 28, 2018
6R7O
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BU of 6r7o by Molmil
Crystal structure of the central region of human cohesin subunit STAG1
分子名称: Cohesin subunit SA-1
著者Newman, J.A, katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-03-29
公開日2019-04-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
6VSW
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BU of 6vsw by Molmil
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt
分子名称: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C
著者Spurlino, J, Milligan, C.
登録日2020-02-12
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
6QB5
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BU of 6qb5 by Molmil
Crystal structure of the N-terminal region of human cohesin subunit STAG1
分子名称: Cohesin subunit SA-1, SODIUM ION
著者Newman, J.A, Katis, V.L, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-12-20
公開日2019-02-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献STAG1 vulnerabilities for exploiting cohesin synthetic lethality in STAG2-deficient cancers.
Life Sci Alliance, 3, 2020
1AXT
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BU of 1axt by Molmil
IMMUNE VERSUS NATURAL SELECTION: ANTIBODY ALDOLASES WITH THE RATES OF NATURAL ENZYMES
分子名称: IMMUNOGLOBULIN IGG2A
著者Heine, A, Wilson, I.A.
登録日1997-10-20
公開日1998-10-28
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Immune versus natural selection: antibody aldolases with enzymic rates but broader scope.
Science, 278, 1997
2Z3W
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BU of 2z3w by Molmil
Prolyl tripeptidyl aminopeptidase mutant E636A
分子名称: Dipeptidyl aminopeptidase IV, GLYCEROL, SULFATE ION
著者Xu, Y, Nakajima, Y, Ito, K, Yoshimoto, T.
登録日2007-06-07
公開日2008-02-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel inhibitor for prolyl tripeptidyl aminopeptidase from Porphyromonas gingivalis and details of substrate-recognition mechanism
J.Mol.Biol., 375, 2008
2Z3Z
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BU of 2z3z by Molmil
Prolyl tripeptidyl aminopeptidase mutant E636A complexd with an inhibitor
分子名称: Dipeptidyl aminopeptidase IV, SULFATE ION, [(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID
著者Xu, Y, Nakajima, Y, Ito, K, Yoshimoto, T.
登録日2007-06-09
公開日2008-02-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Novel inhibitor for prolyl tripeptidyl aminopeptidase from Porphyromonas gingivalis and details of substrate-recognition mechanism
J.Mol.Biol., 375, 2008
8AT2
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BU of 8at2 by Molmil
Structure of the augmin TIII subcomplex
分子名称: HAUS augmin like complex subunit 4 L homeolog, HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 3, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (7.7 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
8AT3
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Structure of the augmin holocomplex in open conformation
分子名称: HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (33 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
8AT4
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BU of 8at4 by Molmil
Structure of the augmin holocomplex in closed conformation
分子名称: HAUS augmin like complex subunit 2 L homeolog, HAUS augmin like complex subunit 4 L homeolog, HAUS augmin like complex subunit 6 L homeolog, ...
著者Zupa, E, Pfeffer, S.
登録日2022-08-22
公開日2022-09-28
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (33 Å)
主引用文献The augmin complex architecture reveals structural insights into microtubule branching.
Nat Commun, 13, 2022
7BIW
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-187
分子名称: 14-3-3 protein sigma, 4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BJB
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BU of 7bjb by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-044
分子名称: 14-3-3 protein sigma, 4-(4-methylphenyl)sulfonylmorpholine, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BJL
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BU of 7bjl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-142
分子名称: 14-3-3 protein sigma, 3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BJW
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BU of 7bjw by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-154
分子名称: 14-3-3 protein sigma, 4-nitro-3-(4-oxidanylpiperidin-1-yl)benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BJF
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-069
分子名称: (5-methyl-2-nitro-phenyl) cyclobutanecarboxylate, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-14
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BIQ
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-180
分子名称: 14-3-3 protein sigma, 4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BKH
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BU of 7bkh by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-153
分子名称: 14-3-3 protein sigma, 4-nitro-3-[(3S)-3-oxidanylpiperidin-1-yl]benzaldehyde, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2021-01-16
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BI3
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BU of 7bi3 by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179
分子名称: 14-3-3 protein sigma, 4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde, CALCIUM ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-12
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
7BIY
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BU of 7biy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-175
分子名称: 1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2021-01-13
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach.
J.Med.Chem., 64, 2021
6YOY
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BU of 6yoy by Molmil
14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-025
分子名称: 14-3-3 protein sigma, 5-methyl-2-nitrophenol, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP2
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-011
分子名称: 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP3
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-028
分子名称: 1-(4-methylphenyl)-1,2,4-triazole, 14-3-3 protein sigma, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YP8
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-033
分子名称: 14-3-3 protein sigma, 3-imidazol-1-ylbenzaldehyde, CHLORIDE ION, ...
著者Wolter, M, Ottmann, C.
登録日2020-04-15
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YQ2
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129
分子名称: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YPY
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14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-123
分子名称: 14-3-3 protein sigma, 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzaldehyde, p65pS45
著者Wolter, M, Ottmann, C.
登録日2020-04-16
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering.
Angew.Chem.Int.Ed.Engl., 59, 2020

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