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1I3Z
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BU of 1i3z by Molmil
MURINE EAT2 SH2 DOMAIN IN COMPLEX WITH SLAM PHOSPHOPEPTIDE
Descriptor: EWS/FLI1 ACTIVATED TRANSCRIPT 2, SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE
Authors:Lu, J, Poy, F, Morra, M, Terhorst, C, Eck, M.J.
Deposit date:2001-02-19
Release date:2003-04-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis for the interaction of the free SH2 domain EAT-2 with SLAM receptors in hematopoietic cells.
Eur.J.Biochem., 20, 2001
1HIY
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BU of 1hiy by Molmil
Binding of nucleotides to NDP kinase
Descriptor: 3'-DEOXY 3'-AMINO ADENOSINE-5'-DIPHOSPHATE, NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Cervoni, L, Lascu, I, Xu, Y, Gonin, P, Morr, M, Merouani, M, Janin, J, Giartoso, A.
Deposit date:2001-01-05
Release date:2001-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Binding of Nucleotides to Nucleoside Diphosphate Kinase: A Calorimetric Study.
Biochemistry, 40, 2001
1F9M
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BU of 1f9m by Molmil
CRYSTAL STRUCTURE OF THIOREDOXIN F FROM SPINACH CHLOROPLAST (SHORT FORM)
Descriptor: THIOREDOXIN F
Authors:Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P.
Deposit date:2000-07-11
Release date:2000-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
1FB0
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BU of 1fb0 by Molmil
CRYSTAL STRUCTURE OF THIOREDOXIN M FROM SPINACH CHLOROPLAST (REDUCED FORM)
Descriptor: THIOREDOXIN M
Authors:Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P.
Deposit date:2000-07-14
Release date:2000-09-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
1FB6
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BU of 1fb6 by Molmil
CRYSTAL STRUCTURE OF THIOREDOXIN M FROM SPINACH CHLOROPLAST (OXIDIZED FORM)
Descriptor: THIOREDOXIN M
Authors:Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P.
Deposit date:2000-07-14
Release date:2000-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
1FAA
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BU of 1faa by Molmil
CRYSTAL STRUCTURE OF THIOREDOXIN F FROM SPINACH CHLOROPLAST (LONG FORM)
Descriptor: THIOREDOXIN F
Authors:Capitani, G, Markovic-Housley, Z, DelVal, G, Morris, M, Jansonius, J.N, Schurmann, P.
Deposit date:2000-07-13
Release date:2000-09-20
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of two functionally different thioredoxins in spinach chloroplasts.
J.Mol.Biol., 302, 2000
1KA7
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BU of 1ka7 by Molmil
SAP/SH2D1A bound to peptide n-Y-c
Descriptor: SH2 DOMAIN PROTEIN 1A, peptide n-Y-c
Authors:Hwang, P.M, Li, C, Morra, M, Lillywhite, J, Gertler, F, Terhorst, C, Kay, L.E, Pawson, T, Forman-Kay, J, Li, S.-C.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A "three-pronged" binding mechanism for the SAP/SH2D1A SH2 domain: structural basis and relevance to the XLP syndrome.
EMBO J., 21, 2002
1KA6
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BU of 1ka6 by Molmil
SAP/SH2D1A bound to peptide n-pY
Descriptor: SH2 DOMAIN PROTEIN 1A, peptide n-pY
Authors:Hwang, P.M, Li, C, Morra, M, Lillywhite, J, Gertler, F, Terhorst, C, Kay, L.E, Pawson, T, Forman-Kay, J, Li, S.-C.
Deposit date:2001-10-31
Release date:2001-11-07
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:A "three-pronged" binding mechanism for the SAP/SH2D1A SH2 domain: structural basis and relevance to the XLP syndrome.
EMBO J., 21, 2002
1B99
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BU of 1b99 by Molmil
3'-FLUORO-URIDINE DIPHOSPHATE BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE
Descriptor: 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE, PROTEIN (NUCLEOSIDE DIPHOSPHATE KINASE), PYROPHOSPHATE 2-
Authors:Janin, J, Xu, Y.
Deposit date:1999-02-22
Release date:1999-06-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytic mechanism of nucleoside diphosphate kinase investigated using nucleotide analogues, viscosity effects, and X-ray crystallography.
Biochemistry, 38, 1999
1D26
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BU of 1d26 by Molmil
EFFECT OF A SINGLE 3'-METHYLENE PHOSPHONATE LINKAGE ON THE CONFORMATION OF AN A-DNA OCTAMER DOUBLE HELIX
Descriptor: DNA (5'-D(*GP*CP*CP*CP*(G31)P*GP*GP*C)-3')
Authors:Heinemann, U.
Deposit date:1990-09-17
Release date:1992-04-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Effect of a single 3'-methylene phosphonate linkage on the conformation of an A-DNA octamer double helix.
Nucleic Acids Res., 19, 1991
5IT2
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BU of 5it2 by Molmil
Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment
Descriptor: heavy chain, light chain
Authors:Chen, X, Dalhus, B, Hnida, K, Iversen, R, Sollid, L.M.
Deposit date:2016-03-16
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High abundance of plasma cells secreting transglutaminase 2-specific IgA autoantibodies with limited somatic hypermutation in celiac disease intestinal lesions
Nat. Med., 18, 2012
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
Descriptor: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
2P2H
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BU of 2p2h by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
Descriptor: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P4I
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BU of 2p4i by Molmil
Evolution of a highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
Descriptor: 4-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Angiopoietin-1 receptor
Authors:Bellon, S.F.
Deposit date:2007-03-12
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor.
J.Med.Chem., 50, 2007
2P2I
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BU of 2p2i by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor
Descriptor: N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
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:2014-03-12
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
7UGW
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BU of 7ugw by Molmil
M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin
Descriptor: DNA (46-MER), DNA gyrase subunit A, DNA gyrase subunit B, ...
Authors:Hauk, G, Imai, Y, Lewis, K, Berger, J.M.
Deposit date:2022-03-25
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis.
Nat.Chem.Biol., 18, 2022
1D4T
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BU of 1d4t by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH A SLAM PEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
1D4W
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BU of 1d4w by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH SLAM PHOSPHOPEPTIDE
Descriptor: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE, T CELL SIGNAL TRANSDUCTION MOLECULE SAP
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-10-06
Release date:1999-10-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
7T3H
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BU of 7t3h by Molmil
MicroED structure of Dynobactin
Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE
Authors:Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S.
Deposit date:2021-12-07
Release date:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
1D1Z
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BU of 1d1z by Molmil
CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP
Descriptor: SAP SH2 DOMAIN, SULFATE ION
Authors:Poy, F, Yaffe, M.B, Sayos, J, Saxena, K, Eck, M.J.
Deposit date:1999-09-22
Release date:1999-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structures of the XLP protein SAP reveal a class of SH2 domains with extended, phosphotyrosine-independent sequence recognition.
Mol.Cell, 4, 1999
7R1V
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BU of 7r1v by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7R1W
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BU of 7r1w by Molmil
E. coli BAM complex (BamABCDE) bound to dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
3KEC
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BU of 3kec by Molmil
Crystal Structure of Human MMP-13 complexed with a phenyl-2H-tetrazole compound
Descriptor: 4-{[({3-[2-(4-methoxybenzyl)-2H-tetrazol-5-yl]phenyl}carbonyl)amino]methyl}benzoic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Shieh, H.-S, Pavlovsky, A.G, Collins, B, Schnute, M.E.
Deposit date:2009-10-25
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2010
3KEK
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BU of 3kek by Molmil
Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Shieh, H.-S, Collins, B, Schnute, M.E.
Deposit date:2009-10-26
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis.
Bioorg.Med.Chem.Lett., 20, 2009

 

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