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3DDC
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BU of 3ddc by Molmil
Crystal Structure of NORE1A in Complex with RAS
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Stieglitz, B, Bee, C, Schwarz, D, Yildiz, O, Moshnikova, A, Khokhlatchev, A, Herrmann, C.
登録日2008-06-05
公開日2008-07-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel type of Ras effector interaction established between tumour suppressor NORE1A and Ras switch II
Embo J., 27, 2008
2ISZ
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BU of 2isz by Molmil
Crystal structure of a two-domain IdeR-DNA complex crystal form I
分子名称: Iron-dependent repressor ideR, NICKEL (II) ION, SODIUM ION, ...
著者Wisedchaisri, G, Chou, C.J, Wu, M, Roach, C, Rice, A.E, Holmes, R.K, Beeson, C, Hol, W.G.
登録日2006-10-18
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Crystal structures, metal activation, and DNA-binding properties of two-domain IdeR from Mycobacterium tuberculosis
Biochemistry, 46, 2007
2ISY
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BU of 2isy by Molmil
Crystal structure of the nickel-activated two-domain iron-dependent regulator (IdeR)
分子名称: Iron-dependent repressor ideR, NICKEL (II) ION, PHOSPHATE ION
著者Wisedchaisri, G, Chou, C.J, Wu, M, Roach, C, Rice, A.E, Holmes, R.K, Beeson, C, Hol, W.G.
登録日2006-10-18
公開日2007-02-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.955 Å)
主引用文献Crystal structures, metal activation, and DNA-binding properties of two-domain IdeR from Mycobacterium tuberculosis
Biochemistry, 46, 2007
2IT0
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BU of 2it0 by Molmil
Crystal structure of a two-domain IdeR-DNA complex crystal form II
分子名称: ACETATE ION, Iron-dependent repressor ideR, NICKEL (II) ION, ...
著者Wisedchaisri, G, Chou, C.J, Wu, M, Roach, C, Rice, A.E, Holmes, R.K, Beeson, C, Hol, W.G.
登録日2006-10-18
公開日2007-02-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures, metal activation, and DNA-binding properties of two-domain IdeR from Mycobacterium tuberculosis
Biochemistry, 46, 2007
1WPD
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BU of 1wpd by Molmil
Evidence for domain-specific recognition of SK and Kv channels by MTX and HsTx1 scorpion toxins
分子名称: Potassium channel toxin alpha-KTx 6.2,Potassium channel toxin alpha-KTx 6.3
著者Regaya, I, Beeton, C, Ferrat, G, Andreotti, N, Chandy, G.K, Darbon, H, De Waard, M, Sabatier, J.M.
登録日2004-09-01
公開日2004-10-19
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献Evidence for domain-specific recognition of SK and Kv channels by MTX and HsTx1 scorpion toxins
J.Biol.Chem., 279, 2004
7S7I
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BU of 7s7i by Molmil
Crystal structure of Fab in complex with MICA alpha3 domain
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ...
著者Lee, P.S, Strop, P.
登録日2021-09-16
公開日2022-10-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residue-Level Characterization of Antibody Binding Epitopes Using Carbene Chemical Footprinting.
Anal.Chem., 95, 2023
7SU1
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BU of 7su1 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
7SU0
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BU of 7su0 by Molmil
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-11-15
公開日2022-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
登録日2019-10-18
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
8SZY
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BU of 8szy by Molmil
Crystal Structure of Heterotrimeric Anti-TIGIT Fabs in complex with human TIGIT
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BMS-986207 Fab Heavy Chain, BMS-986207 light chain, ...
著者Diong, S.J, Lee, P.S.
登録日2023-05-30
公開日2023-09-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Biophysical characterization of PVR family interactions and therapeutic antibody recognition to TIGIT.
Mabs, 15, 2023
4IDJ
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BU of 4idj by Molmil
S.Aureus a-hemolysin monomer in complex with Fab
分子名称: Alpha-hemolysin, Fab Heavy chain, Fab Light chain, ...
著者Strop, P.
登録日2012-12-12
公開日2013-06-26
最終更新日2021-05-26
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Mechanism of Action and In Vivo Efficacy of a Human-Derived Antibody against Staphylococcus aureus alpha-Hemolysin.
J.Mol.Biol., 425, 2013
7KQL
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BU of 7kql by Molmil
Anti-Tim3 antibody Fab complex
分子名称: GLYCEROL, Hepatitis A virus cellular receptor 2, Tim3.18 Fab heavy chain, ...
著者Deng, X.A, West, S.M, Strop, P.
登録日2020-11-16
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tim-3 mediates T cell trogocytosis to limit antitumor immunity.
J.Clin.Invest., 132, 2022
7S13
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BU of 7s13 by Molmil
Crystal structure of Fab in complex with mouse CD96 dimer
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ...
著者Lee, P.S, Barman, I, Strop, P.
登録日2021-08-31
公開日2021-10-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
7S11
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BU of 7s11 by Molmil
Crystal structure of Fab in complex with mouse CD96 monomer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
著者Lee, P.S, Chau, B, Strop, P.
登録日2021-08-31
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
7KHD
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BU of 7khd by Molmil
Human GITR-GITRL complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18
著者Wang, F, Chau, B, West, S.M, Strop, P.
登録日2020-10-21
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.956102 Å)
主引用文献Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7KHX
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BU of 7khx by Molmil
Mouse GITR-GITRL complex
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, Tumor necrosis factor ligand superfamily member 18, ...
著者Wang, F, Chau, B, West, S.M, Strop, P.
登録日2020-10-22
公開日2021-03-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.20569849 Å)
主引用文献Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
7AUZ
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BU of 7auz by Molmil
LTA4 hydrolase in complex with compound LYS006
分子名称: (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV0
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BU of 7av0 by Molmil
LTA4 hydrolase in complex with compound R(13)
分子名称: (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV1
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BU of 7av1 by Molmil
LTA4 hydrolase in complex with fragment2
分子名称: 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
7AV2
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BU of 7av2 by Molmil
LTA4 hydrolase in complex with fragment1
分子名称: (4-phenoxyphenyl)methanol, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2020-11-03
公開日2021-02-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase.
J.Med.Chem., 64, 2021
6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2018-12-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q7H
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RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2018-12-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q6M
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RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
8RX9
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LTA4 hydrolase in complex with compound3
分子名称: 1-[[5-[5-(1~{H}-pyrazol-5-yl)pyridin-2-yl]oxypyridin-2-yl]methyl]piperidin-4-ol, ACETATE ION, IMIDAZOLE, ...
著者Srinivas, H.
登録日2024-02-06
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Guided Elaboration of a Fragment-Like Hit into an Orally Efficacious Leukotriene A4 Hydrolase Inhibitor.
J.Med.Chem., 67, 2024

 

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