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1BPT
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BU of 1bpt by Molmil
CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
著者Housset, D, Wlodawer, A, Tao, F, Fuchs, J, Woodward, C.
登録日1991-12-11
公開日1993-01-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
1FAN
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BU of 1fan by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C.
登録日1992-08-21
公開日1993-10-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
1BTI
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BU of 1bti by Molmil
CREVICE-FORMING MUTANTS IN THE RIGID CORE OF BOVINE PANCREATIC TRYPSIN INHIBITOR: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR
著者Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
登録日1991-07-11
公開日1993-10-31
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
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2024-11-06
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
7L6K
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BU of 7l6k by Molmil
ApoL1 N-terminal domain
分子名称: Apolipoprotein L1
著者Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D.
登録日2020-12-23
公開日2021-08-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LFA
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BU of 7lfa by Molmil
Fab 3B6 bound to ApoL1 NTD
分子名称: Apolipoprotein L1, CHLORIDE ION, Fab 3B6 heavy chain, ...
著者Ultsch, M, Kirchhofer, D.
登録日2021-01-15
公開日2021-08-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LF8
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BU of 7lf8 by Molmil
Fab 6D12 bound to ApoL2 NTD
分子名称: Apolipoprotein L2, Fab 6D12 heavy chain, Fab 6D12 light chain, ...
著者Ultsch, M, Kirchhofer, D.
登録日2021-01-15
公開日2021-08-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LFD
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BU of 7lfd by Molmil
Fab 7D6 bound to ApoL1 BH3 like peptide
分子名称: AMMONIUM ION, Apolipoprotein L1 BH3 like peptide, CITRATE ANION, ...
著者Ultsch, M, Kirchhofer, D.
登録日2021-01-16
公開日2021-08-04
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.157 Å)
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LFB
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BU of 7lfb by Molmil
Fab 7D6 bound to ApoL1 NTD
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Apolipoprotein L1, Fab 7D6 heavy chain, ...
著者Ultsch, M, Kirchhofer, D.
登録日2021-01-16
公開日2021-08-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.913 Å)
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
7LF7
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BU of 7lf7 by Molmil
Fab 6D12 bound to ApoL1 NTD
分子名称: Apolipoprotein L1, ETHANOL, Fab 6D12 heavy chain, ...
著者Ultsch, M, Kirchhofer, D.
登録日2021-01-15
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
3U2P
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BU of 3u2p by Molmil
Crystal structure of N-terminal three extracellular domains of ErbB4/Her4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4
著者Liu, P, Bouyain, S, Elgenbrot, C, Leahy, D.J.
登録日2011-10-04
公開日2011-11-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The ErbB4 extracellular region retains a tethered-like conformation in the absence of the tether.
Protein Sci., 21, 2012
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
6NW2
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BU of 6nw2 by Molmil
Structure of human RIPK1 kinase domain in complex with compound 11
分子名称: (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
著者Fong, R, Lupardus, P.J.
登録日2019-02-05
公開日2019-05-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
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2024-10-23
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
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-21
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
6U2F
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BU of 6u2f by Molmil
PCSK9-Fab 7G7 complex bound to cis-1-amino-4-phenylcyclohexaneacyl-WNLK(hR)IGLLR - NH2
分子名称: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
著者Ultsch, M.H, Kirchhofer, D.
登録日2019-08-19
公開日2020-02-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
5WAL
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BU of 5wal by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-06-26
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5WEV
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BU of 5wev by Molmil
Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model
分子名称: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK2
著者Ultsch, M.H, Magnuson, S.
登録日2017-07-10
公開日2017-09-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Identification of an imidazopyridine scaffold to generate potent and selective TYK2 inhibitors that demonstrate activity in an in vivo psoriasis model.
Bioorg. Med. Chem. Lett., 27, 2017
5T8Q
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BU of 5t8q by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to aryl pyrrole fragment 17
分子名称: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T8O
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BU of 5t8o by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to Imidazobenzoxepin Compound 3
分子名称: 10-(3-methyl-3-oxidanyl-but-1-ynyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P, Hymowitz, S.G.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
5T8P
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BU of 5t8p by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2
分子名称: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
著者Smith, M.A, McEwan, P.A.
登録日2016-09-08
公開日2017-01-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K).
J. Med. Chem., 60, 2017
1FLT
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BU of 1flt by Molmil
VEGF IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
分子名称: FMS-LIKE TYROSINE KINASE 1, VASCULAR ENDOTHELIAL GROWTH FACTOR
著者Wiesmann, C, De Vos, A.M.
登録日1997-11-20
公開日1999-01-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure at 1.7 A resolution of VEGF in complex with domain 2 of the Flt-1 receptor.
Cell(Cambridge,Mass.), 91, 1997
6BQD
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BU of 6bqd by Molmil
TAF1-BD2 bromodomain in complex with (E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide
分子名称: 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Transcription initiation factor TFIID subunit 1
著者Murray, J.M, Tang, Y.
登録日2017-11-27
公開日2019-02-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.136 Å)
主引用文献Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J. Comput. Aided Mol. Des., 33, 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

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