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1ZYD
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BU of 1zyd by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type Complexed with ATP.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase GCN2
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-09
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
1HA7
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BU of 1ha7 by Molmil
STRUCTURE OF A LIGHT-HARVESTING PHYCOBILIPROTEIN, C-PHYCOCYANIN FROM SPIRULINA PLATENSIS AT 2.2A RESOLUTION
Descriptor: C-PHYCOCYANIN ALPHA CHAIN, C-PHYCOCYANIN BETA CHAIN, PHYCOCYANOBILIN
Authors:Padyana, A.K, Rajashankar, K.R, Ramakumar, S.
Deposit date:2001-03-29
Release date:2002-03-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of a Light-Harvesting Protein C-Phycocyanin from Spirulina Platensis
Biochem.Biophys.Res.Commun., 282, 2001
1NVT
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BU of 1nvt by Molmil
Crystal structure of Shikimate Dehydrogenase (AROE or MJ1084) in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Shikimate 5'-dehydrogenase, ZINC ION
Authors:Padyana, A.K, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2003-02-04
Release date:2003-03-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of shikimate 5-dehydrogenase (SDH) bound to NADP: insights into function and evolution
Structure, 11, 2003
1ZY4
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BU of 1zy4 by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: R794G Hyperactivating Mutant in Apo Form.
Descriptor: GLYCEROL, Serine/threonine-protein kinase GCN2
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-09
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
1ZYC
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BU of 1zyc by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type in Apo Form.
Descriptor: Serine/threonine-protein kinase GCN2
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-09
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
1ZY5
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BU of 1zy5 by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: R794G Hyperactivating Mutant Complexed with AMPPNP.
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase GCN2
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-09
Release date:2005-06-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
1ZXE
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BU of 1zxe by Molmil
Crystal Structure of eIF2alpha Protein Kinase GCN2: D835N Inactivating Mutant in Apo Form
Descriptor: GLYCEROL, Serine/threonine-protein kinase
Authors:Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K.
Deposit date:2005-06-07
Release date:2005-06-21
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
6C6N
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BU of 6c6n by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and Cmpd-4"
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Padyana, A.K, Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6R
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BU of 6c6r by Molmil
Human Squalene Epoxidase (SQLE, Squalene Monooxygenase) structure with FAD
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Padyana, A.K, Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
6C6P
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BU of 6c6p by Molmil
Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598
Descriptor: (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Padyana, A.K, Jin, L.
Deposit date:2018-01-19
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
5E4G
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BU of 5e4g by Molmil
Crystal structure of human growth differentiation factor 11 (GDF-11)
Descriptor: Growth/differentiation factor 11, TETRAETHYLENE GLYCOL
Authors:Padyana, A.K, Vaidialingam, B, Hayes, D.B, Gupta, P, Franti, M, Farrow, N.A.
Deposit date:2015-10-06
Release date:2016-03-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of human GDF11.
Acta Crystallogr.,Sect.F, 72, 2016
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
Descriptor: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
7RWH
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BU of 7rwh by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
Descriptor: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ...
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RWG
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BU of 7rwg by Molmil
"Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-43192
Descriptor: (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW7
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BU of 7rw7 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
Descriptor: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RW5
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BU of 7rw5 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1
Descriptor: (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
4K60
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BU of 4k60 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment 6-bromo-1,3-dihydro-2H-indol-2-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromo-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K2Y
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BU of 4k2y by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-1,3-dihydro-2H-indol-2-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-1,3-dihydro-2H-indol-2-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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BU of 4k69 by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
Descriptor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K5Z
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BU of 4k5z by Molmil
Crystal Structure of Human Chymase in Complex with Fragment Inhibitor 6-chloro-2,3-dihydro-1H-isoindol-1-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-2,3-dihydro-1H-isoindol-1-one, Chymase, ...
Authors:Collins, B.K, Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013

 

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數據於2024-10-30公開中

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