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4FL3
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BU of 4fl3 by Molmil
Structural and Biophysical Characterization of the Syk Activation Switch
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK
Authors:Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A.
Deposit date:2012-06-14
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
4FL1
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BU of 4fl1 by Molmil
Structural and Biophysical Characterization of the Syk Activation Switch
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK
Authors:Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A.
Deposit date:2012-06-14
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
4FL2
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BU of 4fl2 by Molmil
Structural and Biophysical Characterization of the Syk Activation Switch
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK
Authors:Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A.
Deposit date:2012-06-14
Release date:2012-11-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural and biophysical characterization of the syk activation switch.
J.Mol.Biol., 425, 2013
2K13
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BU of 2k13 by Molmil
Solution NMR Structure of the Leech Protein Saratin, a Novel Inhibitor of Haemostasis
Descriptor: Saratin
Authors:Gronwald, W, Bomke, J, Maurer, T, Wisotzki, B, Huber, F, Schumann, F, Kremer, W, Frech, M, Kalbitzer, H.R.
Deposit date:2008-02-20
Release date:2008-10-21
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Structure of the leech protein saratin and characterization of its binding to collagen
J.Mol.Biol., 381, 2008
8B7I
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BU of 8b7i by Molmil
Human HSP90 alpha ATP Binding Domain, ATP-lid open conformation, R60A
Descriptor: HSP90AA1 protein
Authors:Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brutscher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J.
Deposit date:2022-09-30
Release date:2022-11-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
8B7J
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BU of 8b7j by Molmil
Human HSP90 alpha ATP Binding Domain, ATP-lid closed conformation, R46A
Descriptor: HSP90AA1 protein
Authors:Rioual, E, Henot, F, Favier, A, Macek, P, Crublet, E, Josso, P, Brustcher, B, Frech, M, Gans, P, Loison, C, Boisbouvier, J.
Deposit date:2022-09-30
Release date:2022-11-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Visualizing the transiently populated closed-state of human HSP90 ATP binding domain.
Nat Commun, 13, 2022
1L5G
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BU of 1l5g by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN AVB3 IN COMPLEX WITH AN ARG-GLY-ASP LIGAND
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-03-06
Release date:2002-04-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
1M1X
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BU of 1m1x by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
5OD7
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BU of 5od7 by Molmil
Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time
Descriptor: Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Authors:Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Buchstaller, H.-P, Eggenweiler, H.-M, Frech, M, Ecker, G.F, Lehmann, M.
Deposit date:2017-07-04
Release date:2018-11-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J.Med.Chem., 61, 2018
5OCI
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BU of 5oci by Molmil
Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
Descriptor: 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha
Authors:Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Frech, M, Ecker, G.F.
Deposit date:2017-07-03
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors.
J. Med. Chem., 61, 2018
3KFU
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BU of 3kfu by Molmil
Crystal structure of the transamidosome
Descriptor: Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Glutamyl-tRNA(Gln) amidotransferase subunit A, Glutamyl-tRNA(Gln) amidotransferase subunit C, ...
Authors:Blaise, M, Bailly, M, Frechin, M, Thirup, S, Becker, H.D, Kern, D.
Deposit date:2009-10-28
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of a transfer-ribonucleoprotein particle that promotes asparagine formation.
Embo J., 29, 2010
3REX
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BU of 3rex by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with Adenosine monophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, AsnS-like asparaginyl-tRNA synthetase related protein, MAGNESIUM ION
Authors:Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D.
Deposit date:2011-04-05
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
3RL6
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BU of 3rl6 by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with L-Asparagine and Adenosine monophosphate
Descriptor: ADENOSINE MONOPHOSPHATE, ASPARAGINE, Archaeal asparagine synthetase A, ...
Authors:Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D.
Deposit date:2011-04-19
Release date:2011-08-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
3REU
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BU of 3reu by Molmil
Crystal structure of the archaeal asparagine synthetase A complexed with L-Aspartic acid and Adenosine triphosphate
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ASPARTIC ACID, AsnS-like asparaginyl-tRNA synthetase related protein, ...
Authors:Blaise, M, Frechin, M, Charron, C, Roy, H, Sauter, C, Lorber, B, Olieric, V, Kern, D.
Deposit date:2011-04-05
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Archaeal Asparagine Synthetase: Interrelation with Aspartyl-tRNA and Asparaginyl-tRNA Synthetases.
J.Mol.Biol., 412, 2011
6YXV
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BU of 6yxv by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-05-04
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVY
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BU of 6yvy by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
Descriptor: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Focal adhesion kinase 1, SULFATE ION
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YVS
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BU of 6yvs by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one
Descriptor: 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one, Focal adhesion kinase 1, SULFATE ION
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-28
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YT6
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BU of 6yt6 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SULFATE ION, ~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
Authors:Musil, D, Heinrich, T.
Deposit date:2020-04-23
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.537 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
621P
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BU of 621p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
721P
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BU of 721p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
6YQ1
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BU of 6yq1 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, SODIUM ION, SULFATE ION, ...
Authors:Musil, D, Heinrich, T, Amaral, M.
Deposit date:2020-04-16
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
6YR9
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BU of 6yr9 by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Descriptor: Focal adhesion kinase 1, N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Authors:Musil, D, Amaral, M.
Deposit date:2020-04-19
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.925 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
521P
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BU of 521p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, H-RAS P21 PROTEIN, MAGNESIUM ION
Authors:Schlichting, I, Krengel, U, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
6YOJ
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BU of 6yoj by Molmil
FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one
Descriptor: 6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one, Focal adhesion kinase 1
Authors:Musil, D, Heinrich, T.
Deposit date:2020-04-14
Release date:2021-02-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2.
Cell Chem Biol, 28, 2021
221P
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BU of 221p by Molmil
THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES
Descriptor: H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F.
Deposit date:1991-06-06
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990

 

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