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6NX7
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BU of 6nx7 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5.6
Descriptor: ACETIC ACID, CITRIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXB
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BU of 6nxb by Molmil
ECAII IN COMPLEX WITH CITRATE AT PH 7
Descriptor: CITRIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6H35
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BU of 6h35 by Molmil
Myxococcus xanthus MglA bound to GDP and Pi with mixed inactive and active switch region conformations
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA, ...
Authors:Varela, P.F, Galicia, C, Cherfils, J.
Deposit date:2018-07-17
Release date:2019-12-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
6NT0
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BU of 6nt0 by Molmil
Catalase 3 from N.Crassa in ferrous state, X-ray reduced (1.315 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-27
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
6NX6
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BU of 6nx6 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5
Descriptor: ACETIC ACID, CITRIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXD
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BU of 6nxd by Molmil
TYPE I L-ASPARAGINASE FROM ESCHERICHIA COLI IN COMPLEX WITH CITRATE AT PH 4
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXA
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BU of 6nxa by Molmil
ECAII(D90T,K162T) MUTANT AT PH 7
Descriptor: ACETIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXC
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BU of 6nxc by Molmil
ECAI(T162A) MUTANT IN COMPLEX WITH CITRATE AT PH 4
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NX8
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BU of 6nx8 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 6.2
Descriptor: ACETIC ACID, CITRIC ACID, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6H17
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BU of 6h17 by Molmil
Myxococcus xanthus MglA bound to GTPgammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Mutual gliding-motility protein MglA, ...
Authors:Galicia, C, Cherfils, J.
Deposit date:2018-07-11
Release date:2019-11-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.275 Å)
Cite:MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
6H5B
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BU of 6h5b by Molmil
Myxococcus xanthus MglA in complex with its GAP MglB and GTPgammaS
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Galicia, C, Cherfils, J.
Deposit date:2018-07-24
Release date:2019-11-27
Last modified:2020-11-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
6HJM
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BU of 6hjm by Molmil
Myxococcus xanthus MglB
Descriptor: MglB
Authors:Varela, P.F, Navaza, J, Trapani, S, Cherfils, J.
Deposit date:2018-09-04
Release date:2019-12-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
4YVQ
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BU of 4yvq by Molmil
Crystal Structure of FLU-TPR in Complex with the C-terminal Region of GluTR
Descriptor: Glutamyl-tRNA reductase 1, chloroplastic, Protein FLUORESCENT IN BLUE LIGHT
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
6H7E
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BU of 6h7e by Molmil
GEF regulatory domain
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cDNA FLJ56134, ...
Authors:Ferrandez, Y, Cherfils, J, Peurois, F.
Deposit date:2018-07-31
Release date:2020-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Membranes prime the RapGEF EPAC1 to transduce cAMP signaling.
Nat Commun, 14, 2023
6NSW
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BU of 6nsw by Molmil
X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.135 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-25
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
6O94
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BU of 6o94 by Molmil
Structure of the IRAK4 kinase domain with compound 17
Descriptor: CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6B82
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BU of 6b82 by Molmil
Zebra Fish CYP-450 17A1 Mutant Abiraterone Complex
Descriptor: ACETATE ION, Abiraterone, CHLORIDE ION, ...
Authors:Pallan, P.S, Egli, M.
Deposit date:2017-10-05
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Inherent steroid 17 alpha ,20-lyase activity in defunct cytochrome P450 17A enzymes.
J. Biol. Chem., 293, 2018
6HJO
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BU of 6hjo by Molmil
Myxococcus xanthus MglA bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA
Authors:Varela, P.F, Cherfils, J.
Deposit date:2018-09-04
Release date:2019-12-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
6O9D
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BU of 6o9d by Molmil
Structure of the IRAK4 kinase domain with compound 5
Descriptor: Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
4BBE
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BU of 4bbe by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Descriptor: N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Li, J.
Deposit date:2012-09-21
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
Descriptor: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
Authors:Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
Deposit date:2019-03-12
Release date:2019-05-22
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O95
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BU of 6o95 by Molmil
Structure of the IRAK4 kinase domain with compound 41
Descriptor: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
Authors:Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
Deposit date:2019-03-13
Release date:2019-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
4BBF
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BU of 4bbf by Molmil
Aminoalkylpyrimidine Inhibitor Complexes with JAK2
Descriptor: (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2
Authors:Li, J.
Deposit date:2012-09-21
Release date:2012-11-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
6HJH
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BU of 6hjh by Molmil
Myxococcus xanthus MglA bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA
Authors:Varela, P.F, Cherfils, J.
Deposit date:2018-09-03
Release date:2019-12-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.
Nat Commun, 10, 2019
5BW0
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BU of 5bw0 by Molmil
The crystal structure of minor pseudopilin binary complex of XcpV and XcpW from the Type 2 secretion system of Pseudomonas aeruginosa
Descriptor: SULFATE ION, Type II secretion system protein I, Type II secretion system protein J
Authors:Zhang, Y, Faucher, F, Poole, K, Jia, Z.
Deposit date:2015-06-05
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided disruption of the pseudopilus tip complex inhibits the Type II secretion in Pseudomonas aeruginosa.
PLoS Pathog., 14, 2018

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