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7BJY
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BU of 7bjy by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to Ro3280
Descriptor: 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Isoform 2 of Bromodomain testis-specific protein
Authors:Chan, A, Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-14
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
1EEH
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BU of 1eeh by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, URIDINE-5'-DIPHOSPHATE-N-ACETYLMURAMOYL-L-ALANINE
Authors:Bertrand, J.A, Fanchon, E, Martin, L, Chantalat, L, Auger, G, Blanot, D, van Heijenoort, J, Dideberg, O.
Deposit date:2000-01-31
Release date:2001-01-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:"Open" structures of MurD: domain movements and structural similarities with folylpolyglutamate synthetase.
J.Mol.Biol., 301, 2000
4E7D
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BU of 4e7d by Molmil
E. cloacae MurA in complex with UDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Open-close transition of MurA
To be Published
4E7G
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BU of 4e7g by Molmil
E. cloacae C115D/R120A MurA in the unliganded state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Open-close transition of MurA
To be Published
4E7F
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BU of 4e7f by Molmil
E. cloacae C115D MurA in complex with UDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Open-close transition of MurA
To be Published
4E7B
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BU of 4e7b by Molmil
E. cloacae MurA in complex with UDP-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Open-close transition of MurA
To be Published
4EII
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BU of 4eii by Molmil
Unliganded E. cloacae R91K MurA
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, TRIETHYLENE GLYCOL, ...
Authors:Han, H, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2012-04-05
Release date:2013-04-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Open-close transition of MurA
To be Published
7T36
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BU of 7t36 by Molmil
Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322
Descriptor: (3R)-4-[6-{1-[diamino(hydroxy)-lambda~4~-sulfanyl]cyclopropyl}-2-(methylsulfanyl)pyrimidin-4-yl]-3-methylmorpholine, 1,2-ETHANEDIOL, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-12-07
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ZS1-322
To Be Published
7T2I
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BU of 7t2i by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588
Descriptor: 1,2-ETHANEDIOL, 4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine, DIMETHYL SULFOXIDE, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-12-04
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-588
To Be Published
8EZ0
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BU of 8ez0 by Molmil
Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Symmetric conformation
Descriptor: Insulin, Insulin receptor
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-29
Release date:2022-11-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
8EYX
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BU of 8eyx by Molmil
Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S; denoted as IR-3CS) Asymmetric conformation 1
Descriptor: Insulin, Insulin receptor
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-29
Release date:2022-11-09
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
8EYR
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BU of 8eyr by Molmil
Cryo-EM structure of two IGF1 bound full-length mouse IGF1R mutant (four glycine residues inserted in the alpha-CT; IGF1R-P674G4): symmetric conformation
Descriptor: Insulin-like growth factor 1 receptor, Insulin-like growth factor I
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-28
Release date:2022-11-09
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
8EYY
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BU of 8eyy by Molmil
Cryo-EM structure of 4 insulins bound full-length mouse IR mutant with physically decoupled alpha CTs (C684S/C685S/C687S, denoted as IR-3CS) Asymmetric conformation 2
Descriptor: Insulin, Insulin receptor
Authors:Li, J, Wu, J.Y, Hall, C, Bai, X.C, Choi, E.
Deposit date:2022-10-29
Release date:2022-11-09
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Molecular basis for the role of disulfide-linked alpha CTs in the activation of insulin-like growth factor 1 receptor and insulin receptor.
Elife, 11, 2022
7TYJ
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BU of 7tyj by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was focused on one of two halves with C1 symmetry applied
Descriptor: Insulin receptor-related protein
Authors:Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7TYK
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BU of 7tyk by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in apo-state captured at pH 7. The 3D refinement was applied with C2 symmetry
Descriptor: Insulin receptor-related protein
Authors:Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7TYM
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BU of 7tym by Molmil
Cryo-EM Structure of insulin receptor-related receptor (IRR) in active-state captured at pH 9. The 3D refinement was applied with C2 symmetry
Descriptor: Insulin receptor-related protein
Authors:Wang, L.W, Hall, C, Li, J, Choi, E, Bai, X.C.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of the alkaline pH-dependent activation of insulin receptor-related receptor.
Nat.Struct.Mol.Biol., 30, 2023
7REM
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BU of 7rem by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
Descriptor: Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor PN1-050
To Be Published
7REL
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BU of 7rel by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-060
To Be Published
7REK
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BU of 7rek by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-13
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with dual BRD4-JAK2 inhibitor MA9-086
To Be Published
7REE
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BU of 7ree by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059
Descriptor: Tyrosine-protein kinase JAK2, [3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-12
Release date:2021-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to YM2-059.
To Be Published
7RN6
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BU of 7rn6 by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594
Descriptor: 1,2-ETHANEDIOL, 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-2,3-dihydro-1H-indole-1-carboxamide, Tyrosine-protein kinase JAK2
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-07-29
Release date:2021-11-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to type-II inhibitor BBT594
To Be Published
4E7E
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BU of 4e7e by Molmil
E. cloacae C115D MurA in complex with UDP-glucose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Open-close transition of MurA
To be Published
4E7C
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BU of 4e7c by Molmil
E. cloacae MurA in complex with UTP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Open-close transition of MurA
To be Published
2PQ9
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BU of 2pq9 by Molmil
E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
Descriptor: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID
Authors:Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
1FDN
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BU of 1fdn by Molmil
REFINED CRYSTAL STRUCTURE OF THE 2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDURICI AT 1.84 ANGSTROMS RESOLUTION
Descriptor: FERREDOXIN, IRON/SULFUR CLUSTER
Authors:Duee, E, Fanchon, E, Vicat, J, Sieker, L.C, Meyer, J, Moulis, J-M.
Deposit date:1994-03-31
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Refined crystal structure of the 2[4Fe-4S] ferredoxin from Clostridium acidurici at 1.84 A resolution.
J.Mol.Biol., 243, 1994

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数据于2024-09-18公开中

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