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7MDP
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BU of 7mdp by Molmil
KRas G12C in complex with G-2897
分子名称: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ...
著者Oh, A, Frank, Y, Wang, W.
登録日2021-04-05
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
5W96
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BU of 5w96 by Molmil
Solution structure of phage derived peptide inhibitor of frizzled 7 receptor
分子名称: Fz7 binding peptide
著者Nile, A.H, de Sousa e Melo, F, Mukund, S, Piskol, R, Hansen, S, Zhou, L, Zhang, Y, Fu, Y, Gogol, E.B, Komuves, L.G, Modrusan, Z, Angers, S, Franke, Y, Koth, C, Fairbrother, W.J, Wang, W, de Sauvage, F.J, Hannoush, R.N.
登録日2017-06-22
公開日2018-04-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
3SOQ
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BU of 3soq by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOB
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BU of 3sob by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB
分子名称: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
著者Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOV
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BU of 3sov by Molmil
The structure of a beta propeller domain in complex with peptide S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
6CQE
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BU of 6cqe by Molmil
Crystal structure of HPK1 kinase domain S171A mutant
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1
著者Wu, P, Lehoux, I, Mortara, K, Franke, Y, Wang, W.
登録日2018-03-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
6CQD
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BU of 6cqd by Molmil
Crystal structure of HPK1 in complex with ATP analogue (AMPPNP)
分子名称: MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W.
登録日2018-03-14
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
6CQF
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BU of 6cqf by Molmil
Crystal structure of HPK1 in complex an inhibitor G1858
分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
著者Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W.
登録日2018-03-15
公開日2018-12-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.246 Å)
主引用文献Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Structure, 27, 2019
5WBS
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BU of 5wbs by Molmil
Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21
分子名称: Frizzled-7,inhibitor peptide Fz7-21
著者Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W.
登録日2017-06-29
公開日2018-04-18
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
5KUP
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BU of 5kup by Molmil
Bruton's tyrosine kinase (BTK) with pyridazinone compound 9
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ...
著者Eigenbrot, C, Yu, C.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.389 Å)
主引用文献Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations.
Acs Chem.Biol., 11, 2016
7RP3
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BU of 7rp3 by Molmil
Crystal structure of GNE-1952 alkylated KRAS G12C in complex with 2H11 CLAMP
分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP2
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BU of 7rp2 by Molmil
Crystal structure of Kas G12C in complex with 2H11 CLAMP
分子名称: 1,2-ETHANEDIOL, CACODYLATE ION, GTPase KRas, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
7RP4
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BU of 7rp4 by Molmil
Crystal structure of KRAS G12C in complex with GNE-1952
分子名称: 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者Oh, A, Tam, C, Wang, W.
登録日2021-08-03
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
4EJF
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BU of 4ejf by Molmil
Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization
分子名称: Caspase-6, PHOSPHATE ION, phage-derived peptide 419
著者Murray, J.M.
登録日2012-04-06
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6465 Å)
主引用文献Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
3P11
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BU of 3p11 by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domains I-III of the HER3 extracellular region
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, Fab DL11 heavy chain, ...
著者Eigenbrot, C, Shia, S.
登録日2010-09-29
公開日2011-10-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0Y
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BU of 3p0y by Molmil
anti-EGFR/HER3 Fab DL11 in complex with domain III of EGFR extracellular region
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
著者Eigenbrot, C, Shia, S.
登録日2010-09-29
公開日2011-10-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
3P0V
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BU of 3p0v by Molmil
anti-EGFR/HER3 Fab DL11 alone
分子名称: CALCIUM ION, Fab DL11 heavy chain, Fab DL11 light chain
著者Eigenbrot, C, Shia, S.
登録日2010-09-29
公開日2011-10-19
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A two-in-one antibody against HER3 and EGFR has superior inhibitory activity compared with monospecific antibodies.
Cancer Cell, 20, 2011
6VVU
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BU of 6vvu by Molmil
Anti-Tryptase fab E104.v1 bound to tryptase
分子名称: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
著者Ultsch, M, Koerber, J.T.
登録日2020-02-18
公開日2020-12-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
6O1F
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BU of 6o1f by Molmil
Complex between soybean trypsin inhibitor beta1-tryptase and a humanized fab
分子名称: 1,2-ETHANEDIOL, Heavy Chain hu31A.v11, Light Chain hu31A.v11, ...
著者Ultsch, M.H, Yi, T.
登録日2019-02-19
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献An Allosteric Anti-tryptase Antibody for the Treatment of Mast Cell-Mediated Severe Asthma.
Cell, 179, 2019
6E4Y
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BU of 6e4y by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
分子名称: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6E4Z
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Anti-PCSK9 fab 6E2 bound to the modified N-terminal peptide from PCSK9
分子名称: 6E2 heavy chain, 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-07-18
公開日2019-04-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
著者Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
登録日2015-11-03
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
6BPP
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BU of 6bpp by Molmil
E. coli MsbA in complex with LPS and inhibitor G092
分子名称: (2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-HYDROXY-TETRADECANOIC ACID, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-24
公開日2018-05-02
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
6BPL
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E. coli MsbA in complex with LPS and inhibitor G907
分子名称: (2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-amino-2-deoxy-alpha-D-glucopyranose, ...
著者Ho, H, Koth, C.M, Payandeh, J.
登録日2017-11-23
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.908 Å)
主引用文献Structural basis for dual-mode inhibition of the ABC transporter MsbA.
Nature, 557, 2018
6MV5
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BU of 6mv5 by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)
分子名称: Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, CHLORIDE ION, ...
著者Ultsch, M.H, Kirchhofer, D.K.
登録日2018-10-24
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019

 

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