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1MW4
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BU of 1mw4 by Molmil
Solution structure of the human Grb7-SH2 domain in complex with a 10 amino acid peptide pY1139
Descriptor: Growth factor receptor-bound protein 7, Receptor protein-tyrosine kinase erbB-2
Authors:Ivancic, M, Lyons, B.A.
Deposit date:2002-09-27
Release date:2003-09-09
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of the human Grb7-SH2 domain/erbB2 peptide complex and structural basis for Grb7 binding to ErbB2
J.BIOMOL.NMR, 27, 2003
1LM8
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BU of 1lm8 by Molmil
Structure of a HIF-1a-pVHL-ElonginB-ElonginC Complex
Descriptor: ELONGIN B, ELONGIN C, Hypoxia-inducible factor 1 alpha, ...
Authors:Min, J.-H, Yang, H, Ivan, M, Gertler, F, Kaelin JR, W.G, Pavletich, N.P.
Deposit date:2002-04-30
Release date:2002-06-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of an HIF-1alpha -pVHL complex: hydroxyproline recognition in signaling.
Science, 296, 2002
2L4K
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BU of 2l4k by Molmil
Water refined solution structure of the human Grb7-SH2 domain in complex with the 10 amino acid peptide pY1139
Descriptor: Growth factor receptor-bound protein 7, Receptor tyrosine-protein kinase erbB-2
Authors:Pias, S.C, Ivancic, M, Brescia, P.J, Johnson, D.L, Smith, D.E, Daly, R.J, Lyons, B.A.
Deposit date:2010-10-07
Release date:2010-11-17
Last modified:2012-10-03
Method:SOLUTION NMR
Cite:Water-Refined Solution Structure of the Human Grb7-SH2 Domain in Complex with the erbB2 Receptor Peptide pY1139.
Protein Pept.Lett., 19, 2012
1WTU
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BU of 1wtu by Molmil
TRANSCRIPTION FACTOR 1, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: TRANSCRIPTION FACTOR 1
Authors:Jia, X, Grove, A, Ivancic, M, Hsu, V.L, Geiduschek, E.P, Kearns, D.R.
Deposit date:1996-07-29
Release date:1997-02-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the Bacillus subtilis phage SPO1-encoded type II DNA-binding protein TF1 in solution.
J.Mol.Biol., 263, 1996
2YLE
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BU of 2yle by Molmil
Crystal structure of the human Spir-1 KIND FSI domain in complex with the FSI peptide
Descriptor: FORMIN-2, PROTEIN SPIRE HOMOLOG 1
Authors:Zeth, K, Pechlivanis, M, Vonrhein, C, Kerkhoff, E.
Deposit date:2011-06-01
Release date:2011-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Basis of Actin Nucleation Factor Cooperativity: Crystal Structure of the Spir-1 Kinase Non-Catalytic C-Lobe Domain (Kind)Formin-2 Formin Spir Interaction Motif (Fsi) Complex.
J.Biol.Chem., 286, 2011
1AAX
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BU of 1aax by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES
Descriptor: 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B
Authors:Puius, Y.A, Zhao, Y, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y.
Deposit date:1997-01-16
Release date:1998-03-04
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design.
Proc.Natl.Acad.Sci.USA, 94, 1997
1PTY
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BU of 1pty by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO PHOSPHOTYROSINE MOLECULES
Descriptor: MAGNESIUM ION, O-PHOSPHOTYROSINE, PROTEIN TYROSINE PHOSPHATASE 1B
Authors:Zhao, Y, Puius, Y.A, Sullivan, M, Lawrence, D, Almo, S.C, Zhang, Z.-Y.
Deposit date:1997-01-16
Release date:1998-01-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: a paradigm for inhibitor design.
Proc.Natl.Acad.Sci.USA, 94, 1997
2YLF
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BU of 2ylf by Molmil
Crystal structure of the human Spir-1 KIND domain
Descriptor: PROTEIN SPIRE HOMOLOG 1
Authors:Zeth, K, Pechlivanis, M, Vonrhein, C, Kerkhoff, E.
Deposit date:2011-06-01
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Basis of Actin Nucleation Factor Cooperativity: Crystal Structure of the Spir-1 Kinase Non-Catalytic C-Lobe Domain (Kind)Formin-2 Formin Spir Interaction Motif (Fsi) Complex.
J.Biol.Chem., 286, 2011
2OMQ
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BU of 2omq by Molmil
VEALYL peptide derived from human insulin chain B, residues 12-17
Descriptor: VEALYL peptide derived from human insulin chain B, residues 12-17
Authors:Ivanova, M, Sawaya, M.R, Eisenberg, D.
Deposit date:2007-01-22
Release date:2007-01-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
2ONX
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BU of 2onx by Molmil
NNQQ peptide corresponding to residues 8-11 of yeast prion sup35 (alternate crystal form)
Descriptor: peptide corresponding to residues 8-11 of yeast prion sup35
Authors:Sawaya, M.R, Sambashivan, S, Nelson, R, Ivanova, M, Sievers, S.A, Apostol, M.I, Thompson, M.J, Balbirnie, M, Wiltzius, J.J, McFarlane, H, Madsen, A.O, Riekel, C, Eisenberg, D.
Deposit date:2007-01-24
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Atomic structures of amyloid cross-beta spines reveal varied steric zippers.
Nature, 447, 2007
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2015-05-05
Release date:2015-09-09
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.41 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2023-09-20
Method:ELECTRON CRYSTALLOGRAPHY (1.43 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
Descriptor: Alpha-synuclein
Authors:Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
Deposit date:2014-10-06
Release date:2015-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
2H7O
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BU of 2h7o by Molmil
Crystal structure of the Rho-GTPase binding domain of YpkA
Descriptor: Protein kinase ypkA
Authors:Prehna, G, Ivanov, M, Bliska, J.B, Stebbins, C.E.
Deposit date:2006-06-02
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Yersinia virulence depends on mimicry of host rho-family nucleotide dissociation inhibitors.
Cell(Cambridge,Mass.), 126, 2006
4R0U
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BU of 4r0u by Molmil
Tgvtava, an amyloid forming segment from alpha synuclein, residues 72-78
Descriptor: Alpha-synuclein
Authors:Ivanova, M.I, Eisenberg, D.S, Sawaya, M.R.
Deposit date:2014-08-01
Release date:2014-12-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
4R0W
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BU of 4r0w by Molmil
Vvtgvta, an amyloid forming segment from alpha synuclein, residues 70-76
Descriptor: Alpha-synuclein
Authors:Ivanova, M.I, Eisenberg, D.S, Sawaya, M.R.
Deposit date:2014-08-01
Release date:2014-12-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based design of functional amyloid materials.
J.Am.Chem.Soc., 136, 2014
6TPY
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BU of 6tpy by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPX
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BU of 6tpx by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TQ2
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BU of 6tq2 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one, Bromodomain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TPZ
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BU of 6tpz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
6TQ1
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BU of 6tq1 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,2-ETHANEDIOL, 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one, Bromodomain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2019-12-15
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.
J.Med.Chem., 63, 2020
5J5T
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BU of 5j5t by Molmil
GLK co-crystal structure with aminopyrrolopyrimidine inhibitor
Descriptor: 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine, Mitogen-activated protein kinase kinase kinase kinase 3
Authors:Silvian, L.F, Marcotte, D.
Deposit date:2016-04-03
Release date:2016-10-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension.
Protein Sci., 26, 2017
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
Descriptor: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-26
Release date:2000-05-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1SVY
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BU of 1svy by Molmil
SEVERIN DOMAIN 2, 1.75 ANGSTROM CRYSTAL STRUCTURE
Descriptor: CALCIUM ION, SEVERIN, SODIUM ION
Authors:Puius, Y.A, Fedorov, E.V, Eichinger, L, Sullivan, M, Schleicher, M, Almo, S.C.
Deposit date:1998-08-10
Release date:1999-08-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the functional surface of domain 2 in the gelsolin superfamily.
Biochemistry, 39, 2000
7SVP
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BU of 7svp by Molmil
Structure of compound 34 bound to human Phospholipase D2 catalytic domain
Descriptor: 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, Phospholipase D2
Authors:Metrick, C.M, Chodaparambil, J.V.
Deposit date:2021-11-19
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance.
Acs Med.Chem.Lett., 13, 2022

 

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