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PDB: 859 results
1MWA
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BU of 1mwa by Molmil
2C/H-2KBM3/DEV8 ALLOGENEIC COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2C T CELL RECEPTOR ALPHA CHAIN, ...
Authors:Luz, J.G, Huang, M.D, Garcia, K.C, Rudolph, M.G, Teyton, L, Wilson, I.A.
Deposit date:2002-09-27
Release date:2002-11-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.EXP.MED., 195, 2002
1G6R
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BU of 1g6r by Molmil
A FUNCTIONAL HOT SPOT FOR ANTIGEN RECOGNITION IN A SUPERAGONIST TCR/MHC COMPLEX
Descriptor: ALPHA T CELL RECEPTOR, BETA T CELL RECEPTOR, BETA-2 MICROGLOBULIN, ...
Authors:Degano, M, Garcia, K.C, Apostolopoulos, V, Rudolph, M.G, Teyton, L, Wilson, I.A.
Deposit date:2000-11-07
Release date:2000-11-15
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A functional hot spot for antigen recognition in a superagonist TCR/MHC complex.
Immunity, 12, 2000
5K01
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BU of 5k01 by Molmil
Crystal Structure of COMT in complex with 2,7-dimethyl-3-(1H-pyrazol-3-yl)imidazo[1,2-a]pyridine
Descriptor: 2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine, Catechol O-methyltransferase, POTASSIUM ION
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Crystal Structure of COMT
To Be Published
5K0E
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BU of 5k0e by Molmil
Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
Descriptor: 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
Deposit date:2016-05-17
Release date:2016-09-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of COMT
To Be Published
5LQR
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BU of 5lqr by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
5LQC
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BU of 5lqc by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Descriptor: Catechol O-methyltransferase, MAGNESIUM ION, N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylaminopurin-9-yl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Authors:Ehler, A, Ellermann, M, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-16
Release date:2016-08-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:no title yet
To be published
5LQN
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BU of 5lqn by Molmil
Crystal Structure of COMT in complex with 2-[(3-chlorophenoxy)methyl]-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
Descriptor: 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole, Catechol O-methyltransferase
Authors:Ehler, A, Lerner, C, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of COMT in complex with 2-[(3-chlorophenoxy)methyl]-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
To be published
5LQU
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BU of 5lqu by Molmil
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Lerner, C, Ellermann, M, Rudolph, M.G.
Deposit date:2016-08-17
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide
To be published
5LQA
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BU of 5lqa by Molmil
rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Ellermann, M, Rudolph, M.G.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
To be published
1Y4J
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BU of 1y4j by Molmil
Crystal structure of the paralogue of the human formylglycine generating enzyme
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dickmanns, A, Rudolph, M.G, Ficner, R.
Deposit date:2004-12-01
Release date:2005-02-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.864 Å)
Cite:Crystal Structure of Human pFGE, the Paralog of the C{alpha}-formylglycine-generating Enzyme
J.Biol.Chem., 280, 2005
2AFT
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BU of 2aft by Molmil
Formylglycine generating enzyme C336S mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Sulfatase modifying factor 1
Authors:Roeser, D, Rudolph, M.G.
Deposit date:2005-07-26
Release date:2005-12-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
1LK2
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BU of 1lk2 by Molmil
1.35A crystal structure of H-2Kb complexed with the GNYSFYAL peptide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Luz, J.G, Rudolph, M.G, Wilson, I.A, Eisen, H.
Deposit date:2002-04-23
Release date:2003-11-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A peptide that antagonizes TCR-mediated reactions with both syngeneic and allogeneic agonists: functional and structural aspects.
J.Immunol., 172, 2004
1LEK
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BU of 1lek by Molmil
Crystal Structure of H-2Kbm3 bound to dEV8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A.
Deposit date:2002-04-09
Release date:2002-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.Exp.Med., 195, 2002
1LEG
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BU of 1leg by Molmil
Crystal Structure of H-2Kb bound to the dEV8 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, ...
Authors:Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A.
Deposit date:2002-04-09
Release date:2002-06-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.Exp.Med., 195, 2002
7GQT
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BU of 7gqt by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, MAGNESIUM ION, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQU
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BU of 7gqu by Molmil
Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ...
Authors:Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7GQS
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BU of 7gqs by Molmil
Crystal Structure of Werner helicase fragment 517-945 in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ...
Authors:Classen, M, Benz, J, Brugger, D, Rudolph, M.G.
Deposit date:2023-10-19
Release date:2024-05-01
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
7FTG
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BU of 7ftg by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTF
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BU of 7ftf by Molmil
Crystal Structure of apo human cyclic GMP-AMP synthase
Descriptor: 1,2-ETHANEDIOL, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTH
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BU of 7fth by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with cGAMP
Descriptor: Cyclic GMP-AMP synthase, ZINC ION, cGAMP
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTI
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BU of 7fti by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-(4-fluorophenyl)-2-methylpyrazole-3-carboxylic acid
Descriptor: 3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Brunner, M, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTJ
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BU of 7ftj by Molmil
Crystal Structure of apo human cyclic GMP-AMP synthase
Descriptor: Cyclic GMP-AMP synthase, POTASSIUM ION, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTK
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BU of 7ftk by Molmil
Crystal Structure of apo human cyclic GMP-AMP synthase
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.125 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTR
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BU of 7ftr by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with (Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide
Descriptor: (2Z)-N-(4-acetylphenyl)-2-cyano-3-hydroxy-3-(5-methyl-1,2-oxazol-4-yl)prop-2-enamide, ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, ...
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Canesso, R, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published
7FTS
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BU of 7fts by Molmil
Crystal Structure of human cyclic GMP-AMP synthase in complex with 5-bromo-N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]-2-hydroxybenzamide
Descriptor: 5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide, Cyclic GMP-AMP synthase, ZINC ION
Authors:Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G.
Deposit date:2023-02-08
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Crystal Structure of a human cyclic GMP-AMP synthase complex
To be published

226707

数据于2024-10-30公开中

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