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5P9G
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BU of 5p9g by Molmil
Structure of BTK with RN486
Descriptor: 6-cyclopropyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridin-3-yl]phenyl]isoquinolin-1-one, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9M
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BTK1 BINDS COVALENTLY TO HY-15771 ONO-4059
Descriptor: 6-azanyl-9-[(3~{R})-1-[(~{E})-but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9I
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BU of 5p9i by Molmil
BTK1 SOAKED WITH IBRUTINIB-Rev
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9K
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BU of 5p9k by Molmil
CRYSTAL STRUCTURE OF BTK with CNX 774
Descriptor: 4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
5P9H
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BTK1 COCRYSTALLIZED WITH RN983
Descriptor: 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino]-6-oxidanylidene-pyridazin-3-yl]pyridin-2-yl]phthalazin-1-one, Tyrosine-protein kinase BTK
Authors:Gardberg, A.S.
Deposit date:2016-09-20
Release date:2017-05-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ability of Bruton's Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency for Inhibition of Fc Receptor but not B-Cell Receptor Signaling.
Mol. Pharmacol., 91, 2017
1JGD
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BU of 1jgd by Molmil
HLA-B*2709 bound to deca-peptide s10R
Descriptor: BETA-2-MICROGLOBULIN, GLYCEROL, HUMAN LYMPHOCYTE ANTIGEN HLA-B27, ...
Authors:Hillig, R.C, Huelsmeyer, M, Saenger, W, Volz, A, Uchanska-Ziegler, B, Ziegler, A.
Deposit date:2001-06-25
Release date:2003-07-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic and structural analysis of peptide- and allele-dependent properties of two HLA-B27 subtypes exhibiting differential disease association
J.Biol.Chem., 279, 2004
1H8K
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A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V53I, V58L MUTANT
Descriptor: SPECTRIN ALPHA CHAIN
Authors:Vega, M.C, Serrano, L.
Deposit date:2001-02-09
Release date:2002-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational Strain in the Hydrophobic Core and its Implications for Protein Folding and Design
Nat.Struct.Biol., 9, 2002
1HD3
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BU of 1hd3 by Molmil
A-SPECTRIN SH3 DOMAIN F52Y MUTANT
Descriptor: GLYCEROL, SPECTRIN ALPHA CHAIN, SULFATE ION
Authors:Vega, M.C, Viguera, A.R, Serrano, L.
Deposit date:2000-11-06
Release date:2001-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Unspecific Hydrophobic Stabilization of Folding Transition States
Proc.Natl.Acad.Sci.USA, 99, 2002
2CDT
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BU of 2cdt by Molmil
alpha-SPECTRIN SH3 DOMAIN A56S MUTANT
Descriptor: SPECTRIN ALPHA CHAIN
Authors:Casares, S, Camara-Artigas, A, Vega, M.C, Lopez-Mayorga, O, Conejero-Lara, F.
Deposit date:2006-01-27
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Cooperative Propagation of Local Stability Changes from Low-Stability and High-Stability Regions in a SH3 Domain.
Proteins: Struct., Funct., Bioinf., 67, 2007
1RPV
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BU of 1rpv by Molmil
HIV-1 REV PROTEIN (RESIDUES 34-50)
Descriptor: HIV-1 REV PROTEIN
Authors:Scanlon, M.J, Fairlie, D.P, Craik, D.J, Englebretsen, D.R, West, M.L.
Deposit date:1995-05-04
Release date:1995-10-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR solution structure of the RNA-binding peptide from human immunodeficiency virus (type 1) Rev.
Biochemistry, 34, 1995
1BK2
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BU of 1bk2 by Molmil
A-SPECTRIN SH3 DOMAIN D48G MUTANT
Descriptor: A-SPECTRIN
Authors:Martinez, J.C, Pisabarro, M.T, Serrano, L.
Deposit date:1998-07-14
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Obligatory steps in protein folding and the conformational diversity of the transition state.
Nat.Struct.Biol., 5, 1998
1QDS
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BU of 1qds by Molmil
SUPERSTABLE E65Q MUTANT OF LEISHMANIA MEXICANA TRIOSEPHOSPHATE ISOMERASE (TIM)
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lambeir, A.M, Backmann, J, Ruiz-Sanz, J, Filimonov, V, Nielsen, J.E, Vriend, G, Kursula, I, Norledge, B.V, Wierenga, R.K.
Deposit date:1999-07-10
Release date:2000-12-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:The ionization of a buried glutamic acid is thermodynamically linked to the stability of Leishmania mexicana triose phosphate isomerase.
Eur.J.Biochem., 267, 2000
1E6G
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BU of 1e6g by Molmil
A-SPECTRIN SH3 DOMAIN A11V, V23L, M25I, V53I, V58L MUTANT
Descriptor: SPECTRIN ALPHA CHAIN, SULFATE ION
Authors:Vega, M.C, Serrano, L.
Deposit date:2000-08-15
Release date:2002-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational Strain in the Hydrophobic Core and its Implications for Protein Folding and Design
Nat.Struct.Biol., 9, 2002
1E7O
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BU of 1e7o by Molmil
A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V44I, V58L MUTATIONS
Descriptor: GLYCEROL, SPECTRIN ALPHA CHAIN
Authors:Vega, M.C, Serrano, L.
Deposit date:2000-08-31
Release date:2003-05-21
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A Thermodynamic and Kinetic Analysis of the Folding Pathway of an SH3 Domain Entropically Stabilised by a Redesigned Hydrophobic Core
J.Mol.Biol., 328, 2003
5T6C
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BU of 5t6c by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-methylpyridinyl-methoxy-phenyl-pyridine piperazine ligand
Descriptor: 1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2016-09-01
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
J. Med. Chem., 60, 2017
5T6H
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BU of 5t6h by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dimethylpyridyl-dipihenyl-pyridine ligand
Descriptor: 1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2016-09-01
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
J. Med. Chem., 60, 2017
1PEN
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BU of 1pen by Molmil
ALPHA-CONOTOXIN PNI1
Descriptor: ALPHA-CONOTOXIN PNIA
Authors:Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L.
Deposit date:1996-01-29
Release date:1997-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
5T6E
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BU of 5t6e by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand
Descriptor: 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2016-09-01
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
J. Med. Chem., 60, 2017
5T5U
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BU of 5t5u by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand
Descriptor: 2-methyl-3-({[3'-(piperidin-4-yl)[1,1'-biphenyl]-4-yl]oxy}methyl)pyridine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2016-08-31
Release date:2017-09-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.
J. Med. Chem., 60, 2017
1E6H
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BU of 1e6h by Molmil
A-SPECTRIN SH3 DOMAIN A11V, M25I, V44I, V58L MUTANTS
Descriptor: SPECTRIN ALPHA CHAIN
Authors:Vega, M.C, Serrano, L.
Deposit date:2000-08-17
Release date:2002-05-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Conformational Strain in the Hydrophobic Core and its Implications for Protein Folding and Design
Nat.Struct.Biol., 9, 2002
3CZF
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BU of 3czf by Molmil
Crystal structure of HLA-B*2709 complexed with the glucagon receptor (GR) peptide (residues 412-420)
Descriptor: BETA-2-MICROGLOBULIN, GLUCAGON RECEPTOR PEPTIDE, GLYCEROL, ...
Authors:Loll, B, Fiorillo, M.T, Rueckert, C, Saenger, W, Sorrentino, R, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2008-04-29
Release date:2009-04-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Conformational Plasticity of HLA-B27 Molecules Correlates Inversely With Efficiency of Negative T Cell Selection.
Front Immunol, 11, 2020
2CCW
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BU of 2ccw by Molmil
Crystal structure of Azurin II at atomic resolution (1.13 angstrom)
Descriptor: AZURIN II, COPPER (I) ION
Authors:Paraskevopoulos, K, Hough, M.A, Eady, R.R, Hasnain, S.S.
Deposit date:2006-01-18
Release date:2006-01-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Active Site Structures and the Redox Properties of Blue Copper Proteins: Atomic Resolution Structure of Azurin II and Electronic Structure Calculations of Azurin, Plastocyanin and Stellacyanin.
Dalton Trans., 25, 2006
2QII
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BU of 2qii by Molmil
Crystal Structure Of tRNA-Guanine Transglycosylase (TGT) From Zymomonas mobilis Complexed With Archaeosine Precursor, Preq0
Descriptor: 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
Authors:Tidten, N, Brenk, R, Heine, A, Reuter, K, Klebe, G.
Deposit date:2007-07-04
Release date:2007-07-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Glutamate versus glutamine exchange swaps substrate selectivity in tRNA-guanine transglycosylase: insight into the regulation of substrate selectivity by kinetic and crystallographic studies.
J.Mol.Biol., 374, 2007
1PP2
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BU of 1pp2 by Molmil
THE REFINED CRYSTAL STRUCTURE OF DIMERIC PHOSPHOLIPASE A2 AT 2.5 ANGSTROMS. ACCESS TO A SHIELDED CATALYTIC CENTER
Descriptor: CALCIUM-FREE PHOSPHOLIPASE A2
Authors:Brunie, S, Sigler, P.B.
Deposit date:1986-03-10
Release date:1986-05-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The refined crystal structure of dimeric phospholipase A2 at 2.5 A. Access to a shielded catalytic center.
J.Biol.Chem., 260, 1985
1SHF
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BU of 1shf by Molmil
CRYSTAL STRUCTURE OF THE SH3 DOMAIN IN HUMAN FYN; COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SH3 DOMAINS IN TYROSINE KINASES AND SPECTRIN
Descriptor: FYN TYROSINE KINASE SH3 DOMAIN
Authors:Noble, M, Musacchio, A, Saraste, M, Wierenga, R.
Deposit date:1993-05-19
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the SH3 domain in human Fyn; comparison of the three-dimensional structures of SH3 domains in tyrosine kinases and spectrin.
EMBO J., 12, 1993

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