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4RX7
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BU of 4rx7 by Molmil
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor
Descriptor: 3-{[(1R,2S)-2-aminocyclohexyl]amino}-5-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}-1,2,4-triazine-6-carboxamide, FORMIC ACID, GLYCEROL, ...
Authors:Lee, C.C.
Deposit date:2014-12-09
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4RX9
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BU of 4rx9 by Molmil
SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor
Descriptor: 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK
Authors:Lee, C.C.
Deposit date:2014-12-09
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58, 2015
4TOY
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BU of 4toy by Molmil
Structure of 35O22 Fab, a HIV-1 neutralizing antibody
Descriptor: 35O22 Fab Heavy chain, 35O22 Fab Light chain
Authors:Pancera, M, Kwong, P.D.
Deposit date:2014-06-06
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface.
Nature, 515, 2014
4RPV
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BU of 4rpv by Molmil
co-crystal structure of Pim1 with compound 3
Descriptor: (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1
Authors:Huang, X.
Deposit date:2014-10-31
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4TY1
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BU of 4ty1 by Molmil
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Descriptor: GLYCEROL, N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2014-07-07
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
1CGF
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BU of 1cgf by Molmil
CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF
Descriptor: CALCIUM ION, FIBROBLAST COLLAGENASE, ZINC ION
Authors:Lovejoy, B, Hassell, A.M, Luther, M.A, Weigl, D, Jordan, S.R.
Deposit date:1994-02-03
Release date:1995-03-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Biochemistry, 33, 1994
2ITG
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BU of 2itg by Molmil
CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT
Descriptor: HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE
Authors:Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C.
Deposit date:1996-09-13
Release date:1997-03-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant.
FEBS Lett., 398, 1996
1EEN
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BU of 1een by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH ACETYL-D-A-D-BPA-PTYR-L-I-P-Q-Q-G
Descriptor: ACETIC ACID, ALA-ASP-PBF-PTR-LEU-ILE-PRO, MAGNESIUM ION, ...
Authors:Puius, Y.A, Zhao, Y, Almo, S.C, Zhang, Z.Y.
Deposit date:2000-02-01
Release date:2001-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition.
Biochemistry, 39, 2000
1EEO
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BU of 1eeo by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2
Descriptor: ACETYL-E-L-E-F-PTYR-M-D-Y-E-NH2 PEPTIDE, MAGNESIUM ION, PROTEIN TYROSINE PHOSPHATASE 1B
Authors:Sarmiento, M, Puius, Y.A, Vetter, S.W, Lawrence, D.S, Almo, S.C, Zhang, Z.Y.
Deposit date:2000-02-01
Release date:2001-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of plasticity in protein tyrosine phosphatase 1B substrate recognition.
Biochemistry, 39, 2000
1EMB
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BU of 1emb by Molmil
GREEN FLUORESCENT PROTEIN (GFP) FROM AEQUOREA VICTORIA, GLN 80 REPLACED WITH ARG
Descriptor: GREEN FLUORESCENT PROTEIN
Authors:Brejc, K, Sixma, T.
Deposit date:1997-01-08
Release date:1997-06-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural basis for dual excitation and photoisomerization of the Aequorea victoria green fluorescent protein.
Proc.Natl.Acad.Sci.USA, 94, 1997
1E74
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BU of 1e74 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R11E
Descriptor: ALPHA-CONOTOXIN IM1(R11E)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1E76
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BU of 1e76 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT D5N
Descriptor: ALPHA-CONOTOXIN IM1(D5N)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
1E75
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BU of 1e75 by Molmil
NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN IM1 POINT MUTATION VARIANT R7L
Descriptor: ALPHA-CONOTOXIN IM1(R7L)
Authors:Rogers, J.P, Luginbuhl, P, Pemberton, K, Harty, P, Wemmer, D.E, Stevens, R.C.
Deposit date:2000-08-24
Release date:2000-12-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-Activity Relationships in a Peptidic Alpha7 Nicotinic Acetylcholine Receptor Antagonist
J.Mol.Biol., 304, 2000
8TXM
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BU of 8txm by Molmil
Crystal structure of 05.GC.w13.02 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w13_B, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-23
Release date:2024-06-26
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Maturation of germinal center B cells after influenza vaccination in humans
J.Exp.Med., 2024
8TXT
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BU of 8txt by Molmil
Crystal structure of 05.GC.w13.02 Fab in complex with H5 HA from A/Viet Nam/1203/2004(H5N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_W13B_B, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Maturation of germinal center B cells after influenza vaccination in humans
J.Exp.Med., 2024
8TY7
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BU of 8ty7 by Molmil
Crystal structure of 05.GC.w2.3C10 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w2_3C10, heavy chain, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Maturation of germinal center B cells after influenza vaccination in humans
J.Exp.Med., 2024
3LRR
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BU of 3lrr by Molmil
Crystal structure of human RIG-I CTD bound to a 12 bp AU rich 5' ppp dsRNA
Descriptor: Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*(ATP)P*UP*AP*UP*AP*UP*AP*UP*AP*UP*AP*U)-3'), ZINC ION
Authors:Li, P.
Deposit date:2010-02-11
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Structural Basis of 5' Triphosphate Double-Stranded RNA Recognition by RIG-I C-Terminal Domain.
Structure, 18, 2010
3L9I
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BU of 3l9i by Molmil
Myosin VI nucleotide-free (mdinsert2) L310G mutant crystal structure
Descriptor: ACETATE ION, CALCIUM ION, Calmodulin, ...
Authors:Pylypenko, O, Song, L, Sweeney, L.H, Houdusse, A.
Deposit date:2010-01-05
Release date:2010-12-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Role of insert i of myosin VI in modulating nucleotide affinity
To be Published
8TXP
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BU of 8txp by Molmil
Crystal structure of 05.GC.w13.01 Fab in complex with H1 HA from A/California/04/2009(H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GC_w13_A, Fab heavy chain, ...
Authors:Lin, T.H, Moore, N, Wilson, I.A.
Deposit date:2023-08-24
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Maturation of germinal center B cells after influenza vaccination in humans
J.Exp.Med., 2024
3LCC
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BU of 3lcc by Molmil
Structure of a SAM-dependent halide methyltransferase from Arabidopsis thaliana
Descriptor: CHLORIDE ION, Putative methyl chloride transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schmidberger, J.W, O'Hagan, D, Naismith, J.H.
Deposit date:2010-01-10
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Halomethane Biosynthesis: Structure of a SAM-Dependent Halide Methyltransferase from Arabidopsis thaliana
Angew.Chem.Int.Ed.Engl., 49, 2010
3LRN
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BU of 3lrn by Molmil
Crystal structure of human RIG-I CTD bound to a 14 bp GC 5' ppp dsRNA
Descriptor: Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*(GTP)P*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ZINC ION
Authors:Li, P.
Deposit date:2010-02-11
Release date:2010-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structural Basis of 5' Triphosphate Double-Stranded RNA Recognition by RIG-I C-Terminal Domain.
Structure, 18, 2010
3MHU
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BU of 3mhu by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
Descriptor: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-08
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3MJY
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BU of 3mjy by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Aminoorotic acid
Descriptor: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-13
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3MXG
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BU of 3mxg by Molmil
Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L
Descriptor: D-xylose, Shiga-like toxin 2 subunit B
Authors:Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J.
Deposit date:2010-05-07
Release date:2011-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2.
Plos One, 5, 2010
1D3K
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BU of 1d3k by Molmil
HUMAN SERUM TRANSFERRIN
Descriptor: CARBONATE ION, FE (III) ION, SERUM TRANSFERRIN
Authors:Yang, H.-W, MacGillivray, R.T.A, Chen, J, Luo, Y, Wang, Y, Brayer, G.D, Mason, A, Woodworth, R.C, Murphy, M.E.P.
Deposit date:1999-09-29
Release date:2000-03-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of two mutants (K206Q, H207E) of the N-lobe of human transferrin with increased affinity for iron.
Protein Sci., 9, 2000

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