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3O8I
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BU of 3o8i by Molmil
Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment
Descriptor: 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one
Authors:Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P.
Deposit date:2010-08-03
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling
Mol.Cell.Biol., 30, 2010
1JC7
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BU of 1jc7 by Molmil
The Laminin-Binding Domain of Agrin is Structurally Related to N-TIMP-1
Descriptor: Agrin, CHLORIDE ION
Authors:Stetefeld, J.
Deposit date:2001-06-08
Release date:2001-08-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The laminin-binding domain of agrin is structurally related to N-TIMP-1.
Nat.Struct.Biol., 8, 2001
1JB3
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BU of 1jb3 by Molmil
The Laminin-Binding Domain of Agrin is structurally related to N-TIMP-1
Descriptor: Agrin
Authors:Stetefeld, J.
Deposit date:2001-06-01
Release date:2001-08-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The laminin-binding domain of agrin is structurally related to N-TIMP-1.
Nat.Struct.Biol., 8, 2001
7L5D
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BU of 7l5d by Molmil
The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Tan, K, Maltseva, N.I, Jedrzejczak, R.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-12-21
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Masitinib is a broad coronavirus 3CL inhibitor that blocks replication of SARS-CoV-2.
Science, 373, 2021
2Y7A
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BU of 2y7a by Molmil
Crystal structure of unliganded GTB P156L
Descriptor: ABO GLYCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE
Authors:Weadge, J, Palcic, M.M, Henriksen, A.
Deposit date:2011-01-31
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural and Biochemical Characterization of the Human Blood Group a and B Galactosyltransferases Possessing the Pro156Leu Mutation
To be Published
2CSN
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BU of 2csn by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 WITH CKI7
Descriptor: CASEIN KINASE-1, N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE, SULFATE ION
Authors:Xu, R.-M, Cheng, X.
Deposit date:1995-10-11
Release date:1996-03-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for selectivity of the isoquinoline sulfonamide family of protein kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 93, 1996
2VFO
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BU of 2vfo by Molmil
Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125L
Descriptor: CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ...
Authors:Becker, M, Mueller, J.J, Heinemann, U, Seckler, R.
Deposit date:2007-11-05
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
2VFM
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BU of 2vfm by Molmil
Low Temperature Structure of P22 Tailspike Protein Fragment (109-666)
Descriptor: BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ...
Authors:Becker, M, Mueller, J.J, Heinemann, U, Seckler, R.
Deposit date:2007-11-05
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
2VFQ
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BU of 2vfq by Molmil
Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V450A
Descriptor: CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN,, ...
Authors:Becker, M, Mueller, J.J, Heinemann, U, Seckler, R.
Deposit date:2007-11-05
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
2VFN
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BU of 2vfn by Molmil
Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V125A
Descriptor: BIFUNCTIONAL TAIL PROTEIN, CALCIUM ION, GLYCEROL, ...
Authors:Becker, M, Mueller, J.J, Heinemann, U, Seckler, R.
Deposit date:2007-11-05
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
2VFP
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BU of 2vfp by Molmil
Low Temperature Structure of P22 Tailspike Protein Fragment (109-666), Mutant V349L
Descriptor: CALCIUM ION, GLYCEROL, P22 TAILSPIKE PROTEIN, ...
Authors:Becker, M, Mueller, J.J, Heinemann, U, Seckler, R.
Deposit date:2007-11-05
Release date:2008-12-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Side-Chain Stacking and Beta-Helix Stability in P22 Tailspike Protein
To be Published
1CSN
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BU of 1csn by Molmil
BINARY COMPLEX OF CASEIN KINASE-1 WITH MGATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CASEIN KINASE-1, MAGNESIUM ION, ...
Authors:Xu, R.-M, Cheng, X.
Deposit date:1995-04-25
Release date:1995-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of casein kinase-1, a phosphate-directed protein kinase.
EMBO J., 14, 1995
5T9U
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BU of 5t9u by Molmil
Discovery of a Potent Cyclophilin Inhibitor (Compound 3) based on Structural Simplification of Sanglifehrin A
Descriptor: 3-[(3-hydroxyphenyl)methyl]-10,12-dimethoxy-9,11-dimethyl-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A
Authors:Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
Deposit date:2016-09-09
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
5T9Z
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BU of 5t9z by Molmil
Discovery of a Potent Cyclophilin Inhibitor (Compound 6) based on Structural Simplification of Sanglifehrin A
Descriptor: 11-[(3-hydroxyphenyl)methyl]-18-methoxy-17-methyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
Authors:Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
Deposit date:2016-09-09
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
5T9W
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BU of 5t9w by Molmil
Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A
Descriptor: 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone, Peptidyl-prolyl cis-trans isomerase A
Authors:Appleby, T.C, Steadman, V, Pettit, P, Schmitz, U, Mackman, R.L, Schultz, B.
Deposit date:2016-09-09
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
5TA2
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BU of 5ta2 by Molmil
Discovery of a Potent Cyclophilin Inhibitor (Compound 7) based on Structural Simplification of Sanglifehrin A
Descriptor: 11-[(3-hydroxyphenyl)methyl]-18-methoxy-2,17-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A
Authors:Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
Deposit date:2016-09-09
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
5TA4
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BU of 5ta4 by Molmil
Discovery of a Potent Cyclophilin Inhibitor (Compound 8) based on Structural Simplification of Sanglifehrin A
Descriptor: 18-methoxy-2,11,17-trimethyl-14-(propan-2-yl)-3-oxa-9,12,15,28-tetraazatricyclo[21.3.1.1~5,9~]octacosa-1(27),21,23,25-tetraene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A, SULFATE ION
Authors:Appleby, T.C, Steadman, V, Pettit, S, Schmitz, U, Mackman, R.L, Schultz, B.
Deposit date:2016-09-09
Release date:2017-01-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent Cyclophilin Inhibitors Based on the Structural Simplification of Sanglifehrin A.
J. Med. Chem., 60, 2017
5TJN
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BU of 5tjn by Molmil
Crystal structure of GTB + B trisaccharide (native)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside
Authors:Legg, M.S.G, Gagnon, S.M.L, Evans, S.V.
Deposit date:2016-10-04
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
5TJK
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BU of 5tjk by Molmil
Crystal structure of GTA + A trisaccharide (native)
Descriptor: GLYCEROL, Histo-blood group ABO system transferase, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside
Authors:Legg, M.S.G, Gagnon, S.M.L, Evans, S.V.
Deposit date:2016-10-04
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
5TJL
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BU of 5tjl by Molmil
Crystal structure of GTA + A trisaccharide (mercury derivative)
Descriptor: Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside
Authors:Legg, M.S.G, Gagnon, S.M.L, Evans, S.V.
Deposit date:2016-10-04
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017
5TJO
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BU of 5tjo by Molmil
Crystal structure of GTB + B trisaccharide (mercury derivative)
Descriptor: Histo-blood group ABO system transferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]octyl beta-D-galactopyranoside
Authors:Legg, M.S.G, Gagnon, S.M.L, Evans, S.V.
Deposit date:2016-10-04
Release date:2017-06-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:High-resolution crystal structures and STD NMR mapping of human ABO(H) blood group glycosyltransferases in complex with trisaccharide reaction products suggest a molecular basis for product release.
Glycobiology, 27, 2017

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數據於2024-07-24公開中

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