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4QBK
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BU of 4qbk by Molmil
Crystal structure of the complex of Peptidyl-tRNA hydrolase from Pseudomonas aeruginosa with amino acyl-tRNA analogue at 1.77 Angstrom resolution
Descriptor: 3'-deoxy-3'-[(O-methyl-L-tyrosyl)amino]adenosine, GLYCEROL, Peptidyl-tRNA hydrolase
Authors:Singh, A, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-05-08
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and binding studies of peptidyl-tRNA hydrolase from Pseudomonas aeruginosa provide a platform for the structure-based inhibitor design against peptidyl-tRNA hydrolase
Biochem.J., 463, 2014
6RUC
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BU of 6ruc by Molmil
THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G491S VARIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.20 ANGSTROM RESOLUTION
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
Authors:Matias, P.M, Zacarias, S, Pereita, I.
Deposit date:2019-05-28
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:A Hydrophilic Channel Is Involved in Oxidative Inactivation of a [NiFeSe] Hydrogenase
Acs Catalysis, 2019
6RU9
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BU of 6ru9 by Molmil
THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G491A VARIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.36 ANGSTROM RESOLUTION
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ...
Authors:Matias, P.M, Zacarias, S, Pereita, I.
Deposit date:2019-05-27
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.355 Å)
Cite:A Hydrophilic Channel Is Involved in Oxidative Inactivation of a [NiFeSe] Hydrogenase
Acs Catalysis, 2019
3IQ5
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BU of 3iq5 by Molmil
Crystal structure of an engineered metal-free tetrameric cytochrome cb562 complex templated by Zn-coordination
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
Authors:Brodin, J.N, Tezcan, F.A.
Deposit date:2009-08-19
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Evolution of metal selectivity in templated protein interfaces.
J.Am.Chem.Soc., 132, 2010
3IQ6
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BU of 3iq6 by Molmil
Crystal structure of a tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
Authors:Brodin, J.N, Tezcan, F.A.
Deposit date:2009-08-19
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Evolution of metal selectivity in templated protein interfaces.
J.Am.Chem.Soc., 132, 2010
6RTP
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BU of 6rtp by Molmil
THE 3D STRUCTURE OF [NIFESE] HYDROGENASE G50T VaRIANT FROM DESULFOVIBRIO VULGARIS HILDENBOROUGH AT 1.10 ANGSTROM RESOLUTION
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ...
Authors:Matias, P.M, Zacarias, S, Pereita, I.
Deposit date:2019-05-24
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:A Hydrophilic Channel Is Involved in Oxidative Inactivation of a [NiFeSe] Hydrogenase
Acs Catalysis, 2019
7M1E
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BU of 7m1e by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
Descriptor: Scorpine
Authors:del Rio, J.F, Lopez, A.E, Titaux, G.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
2KJ3
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BU of 2kj3 by Molmil
High-resolution structure of the HET-s(218-289) prion in its amyloid form obtained by solid-state NMR
Descriptor: Small s protein
Authors:Van Melckebeke, H, Wasmer, C, Lange, A, AB, E, Loquet, A, Meier, B.H.
Deposit date:2009-05-20
Release date:2010-06-02
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Atomic-Resolution Three-Dimensional Structure of HET-s(218-289) Amyloid Fibrils by Solid-State NMR Spectroscopy
J.Am.Chem.Soc., 132, 2010
7M1D
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BU of 7m1d by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
Descriptor: Scorpine
Authors:del Rio-Portilla, F, Lopez-Giraldo, A.E.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
8OPR
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BU of 8opr by Molmil
Structure of the EA1 surface layer of Bacillus anthracis
Descriptor: ACETATE ION, CALCIUM ION, Nanobody 632, ...
Authors:Sogues, A, Remaut, H.
Deposit date:2023-04-07
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:Structure and function of the EA1 surface layer of Bacillus anthracis.
Nat Commun, 14, 2023
5TOZ
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BU of 5toz by Molmil
JAK3 with covalent inhibitor PF-06651600
Descriptor: 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3
Authors:Vajdos, F.F.
Deposit date:2016-10-19
Release date:2016-11-09
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
3M79
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BU of 3m79 by Molmil
A tetrameric Zn-bound cytochrome cb562 complex with covalently and non-covalently stabilized interfaces crystallized in the presence of Cu(II) and Zn(II)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562, ZINC ION
Authors:Brodin, J.D, Tezcan, F.A.
Deposit date:2010-03-16
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of metal selectivity in templated protein interfaces.
J.Am.Chem.Soc., 132, 2010
5LMD
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BU of 5lmd by Molmil
The crystal structure of hCA II in complex with a benzoxaborole inhibitor
Descriptor: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea, Carbonic anhydrase 2, ZINC ION
Authors:De Simone, G, Alterio, V, Esposito, D, Di Fiore, A.
Deposit date:2016-07-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
4JY7
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BU of 4jy7 by Molmil
Crystal structure of Acinetobacter baumannii Peptidyl-tRNA Hydrolase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-03-29
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4JWK
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BU of 4jwk by Molmil
Crystal structure of the complex of peptidyl-tRNA hydrolase from Acinetobacter baumannii with cytidine at 1.87 A resolution
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Peptidyl-tRNA hydrolase
Authors:Kaushik, S, Singh, N, Yamini, S, Singh, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-03-27
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4JX9
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BU of 4jx9 by Molmil
Crystal structure of the complex of peptidyl t-RNA hydrolase from Acinetobacter baumannii with uridine at 1.4A resolution
Descriptor: Peptidyl-tRNA hydrolase, URIDINE
Authors:Kaushik, S, Singh, N, Yamini, S, Singh, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-03-28
Release date:2013-06-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4HOY
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BU of 4hoy by Molmil
Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.78 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-10-23
Release date:2012-11-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4FOP
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BU of 4fop by Molmil
Crystal Structure of Peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.86 A resolution
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Kaushik, S, Kumar, S, Singh, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-06-21
Release date:2012-07-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4FOT
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BU of 4fot by Molmil
Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-06-21
Release date:2012-07-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4IKO
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BU of 4iko by Molmil
Structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.90 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-12-27
Release date:2013-01-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
3TUB
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BU of 3tub by Molmil
Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea
Descriptor: 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea, Tyrosine-protein kinase SYK
Authors:Han, S.
Deposit date:2011-09-16
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Identification of Type-II Inhibitors Using Kinase Structures.
Chem.Biol.Drug Des., 80, 2012
2VIF
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BU of 2vif by Molmil
Crystal structure of SOCS6 SH2 domain in complex with a c-KIT phosphopeptide
Descriptor: 1,2-ETHANEDIOL, MAST/STEM CELL GROWTH FACTOR RECEPTOR, SUPPRESSOR OF CYTOKINE SIGNALLING 6
Authors:Bullock, A, Pike, A.C.W, Savitsky, P, Keates, T, Pilka, E.S, von Delft, F, Edwards, A, Weigelt, J, Arrowsmith, C.H, Knapp, S.
Deposit date:2007-11-30
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for C-Kit Inhibition by the Suppressor of Cytokine Signaling 6 (Socs6) Ubiquitin Ligase.
J.Biol.Chem., 286, 2011
1XFC
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BU of 1xfc by Molmil
The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE
Authors:LeMagueres, P, Im, H, Ebalunode, J, Strych, U, Benedik, M.J, Briggs, J.M, Kohn, H, Krause, K.L.
Deposit date:2004-09-14
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site.
Biochemistry, 44, 2005
3MZS
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BU of 3mzs by Molmil
Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol
Descriptor: (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol, Cholesterol side-chain cleavage enzyme, ISOPROPYL ALCOHOL, ...
Authors:Stout, C.D, Annalora, A, Mast, N, Pikuleva, I.
Deposit date:2010-05-12
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Three-step Sequential Catalysis by the Cholesterol Side Chain Cleavage Enzyme CYP11A1.
J.Biol.Chem., 286, 2011
4KBC
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BU of 4kbc by Molmil
CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor
Descriptor: 1,2-ETHANEDIOL, Casein kinase I isoform delta, SULFATE ION, ...
Authors:Liu, S.
Deposit date:2013-04-23
Release date:2013-09-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Ligand-protein interactions of selective casein kinase 1 delta inhibitors.
J.Med.Chem., 56, 2013

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