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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
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION
Authors:Housset, D, Wlodawer, A, Tao, F, Fuchs, J, Woodward, C.
Deposit date:1991-12-11
Release date:1993-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
7L6K
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BU of 7l6k by Molmil
ApoL1 N-terminal domain
Descriptor: Apolipoprotein L1
Authors:Holliday, M.J, Ultsch, M, Moran, P, Fairbrother, W.J, Kirchhofer, D.
Deposit date:2020-12-23
Release date:2021-08-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Apolipoprotein L1, Fab 7D6 heavy chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.913 Å)
Cite: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
Descriptor: Apolipoprotein L1, ETHANOL, Fab 6D12 heavy chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.026 Å)
Cite: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
Descriptor: Apolipoprotein L2, Fab 6D12 heavy chain, Fab 6D12 light chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: AMMONIUM ION, Apolipoprotein L1 BH3 like peptide, CITRATE ANION, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-16
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.157 Å)
Cite: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
Descriptor: Apolipoprotein L1, CHLORIDE ION, Fab 3B6 heavy chain, ...
Authors:Ultsch, M, Kirchhofer, D.
Deposit date:2021-01-15
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Structures of the ApoL1 and ApoL2 N-terminal domains reveal a non-classical four-helix bundle motif.
Commun Biol, 4, 2021
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
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Housset, D, Tao, F, Kim, K.-S, Fuchs, J, Woodward, C, Wlodawer, A.
Deposit date:1991-07-11
Release date:1993-10-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR
Authors:Danishefsky, A.T, Wlodawer, A, Kim, K.-S, Tao, F, Woodward, C.
Deposit date:1992-08-21
Release date:1993-10-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CALCIUM ION, Fab E104.v1 heavy chain, Fab E104.v1 light chain, ...
Authors:Ultsch, M, Koerber, J.T.
Deposit date:2020-02-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bivalent antibody pliers inhibit beta-tryptase by an allosteric mechanism dependent on the IgG hinge.
Nat Commun, 11, 2020
1FLT
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BU of 1flt by Molmil
VEGF IN COMPLEX WITH DOMAIN 2 OF THE FLT-1 RECEPTOR
Descriptor: FMS-LIKE TYROSINE KINASE 1, VASCULAR ENDOTHELIAL GROWTH FACTOR
Authors:Wiesmann, C, De Vos, A.M.
Deposit date:1997-11-20
Release date:1999-01-13
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure at 1.7 A resolution of VEGF in complex with domain 2 of the Flt-1 receptor.
Cell(Cambridge,Mass.), 91, 1997
6E4Z
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BU of 6e4z by Molmil
Anti-PCSK9 fab 6E2 bound to the modified N-terminal peptide from PCSK9
Descriptor: 6E2 heavy chain, 6E2 light chain, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6E4Y
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BU of 6e4y by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9, unmodified
Descriptor: 6E2 heavy chain, 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-07-18
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
6EP9
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BU of 6ep9 by Molmil
Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
Descriptor: N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide, Tyrosine-protein kinase BTK
Authors:Kuglstatter, A, Wong, A.
Deposit date:2017-10-11
Release date:2018-08-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison.
J.Comput.Aided Mol.Des., 33, 2019
6U3I
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BU of 6u3i by Molmil
Design of organo-peptides as bipartite PCSK9 antagonists
Descriptor: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.
Deposit date:2019-08-21
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 7G7 heavy chain, 7G7 light chain, CALCIUM ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.
Deposit date:2019-08-19
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Design of Organo-Peptides As Bipartite PCSK9 Antagonists.
Acs Chem.Biol., 15, 2020
6MV5
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BU of 6mv5 by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)
Descriptor: Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-10-24
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-05
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Heavy Chain hu31A.v11, Light Chain hu31A.v11, ...
Authors:Ultsch, M.H, Yi, T.
Deposit date:2019-02-19
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Allosteric Anti-tryptase Antibody for the Treatment of Mast Cell-Mediated Severe Asthma.
Cell, 179, 2019
3U2P
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BU of 3u2p by Molmil
Crystal structure of N-terminal three extracellular domains of ErbB4/Her4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor tyrosine-protein kinase erbB-4
Authors:Liu, P, Bouyain, S, Elgenbrot, C, Leahy, D.J.
Deposit date:2011-10-04
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The ErbB4 extracellular region retains a tethered-like conformation in the absence of the tether.
Protein Sci., 21, 2012
4K6Z
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BU of 4k6z by Molmil
The Jak1 kinase domain in complex with compound 37
Descriptor: (1R,2S)-2-{[8-oxo-2-(1H-pyrazol-4-yl)-5,8-dihydropyrido[3,4-d]pyrimidin-4-yl]amino}cyclopentanecarbonitrile, Tyrosine-protein kinase JAK1
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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
Descriptor: 1-[(2-chlorophenyl)methyl]pyrrole-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite: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
Descriptor: 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
Authors:Smith, M.A, McEwan, P, Hymowitz, S.G.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite: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
Descriptor: 6,7-dihydrothieno[4,5]oxepino[1,2-~{c}]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Smith, M.A, McEwan, P.A.
Deposit date:2016-09-08
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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
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
Descriptor: N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2
Authors:Ultsch, M.H, Magnuson, S.
Deposit date:2017-06-26
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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

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數據於2024-05-15公開中

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