5HNL
 
 | | In-house X-ray single crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels | | Descriptor: | Lysozyme C | | Authors: | Tsukui, S, Kimura, F, Kusaka, K, Baba, S, Mizuno, N, Kimura, T. | | Deposit date: | 2016-01-18 | | Release date: | 2016-07-20 | | Method: | X-RAY DIFFRACTION (2.424 Å) | | Cite: | Neutron and X-ray single-crystal diffraction from protein microcrystals via magnetically oriented microcrystal arrays in gels.
Acta Crystallogr D Struct Biol, 72, 2016
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3X2O
 | | Neutron and X-ray joint refined structure of PcCel45A apo form at 298K. | | Descriptor: | Endoglucanase V-like protein | | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-07 | | Last modified: | 2019-12-18 | | Method: | NEUTRON DIFFRACTION (1.5 Å), X-RAY DIFFRACTION | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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3X2P
 | | Neutron and X-ray joint refined structure of PcCel45A with cellopentaose at 298K. | | Descriptor: | Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Nakamura, A, Ishida, T, Kusaka, K, Yamada, T, Tanaka, I, Niimura, N, Samejima, M, Igarashi, K. | | Deposit date: | 2014-12-22 | | Release date: | 2015-10-14 | | Last modified: | 2020-07-29 | | Method: | NEUTRON DIFFRACTION (1.518 Å), X-RAY DIFFRACTION | | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography.
Sci Adv, 1, 2015
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5F31
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | | Descriptor: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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5F2Z
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | | Descriptor: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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5F2T
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | | Descriptor: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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5F34
 | | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with S-hexadecyl Coenzyme A - P21 space group | | Descriptor: | Phosphatidylinositol mannoside acyltransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | | Deposit date: | 2015-12-02 | | Release date: | 2016-03-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.281 Å) | | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
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8I4D
 | | X-ray structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex at 100K | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2023-01-19 | | Release date: | 2024-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
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3A38
 | | Crystal structure of high-potential iron-sulfur protein from Thermochromatium tepidum at 0.7 angstrom resolution | | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | | Authors: | Takeda, K, Kusumoto, K, Hirano, Y, Miki, K. | | Deposit date: | 2009-06-10 | | Release date: | 2010-01-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.7 Å) | | Cite: | Detailed assessment of X-ray induced structural perturbation in a crystalline state protein.
J.Struct.Biol., 169, 2010
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7YQS
 | | Neutron structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | | Deposit date: | 2022-08-08 | | Release date: | 2023-08-09 | | Last modified: | 2024-03-27 | | Method: | NEUTRON DIFFRACTION (1.25 Å), X-RAY DIFFRACTION | | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography.
J.Biol.Chem., 300, 2024
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3A39
 | | Crystal Structure of High-Potential Iron-Sulfur Protein from Thermochromatium tepidum at 0.72 angstrom resolution | | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | | Authors: | Takeda, K, Kusumoto, K, Hirano, Y, Miki, K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.72 Å) | | Cite: | Detailed assessment of X-ray induced structural perturbation in a crystalline state protein.
J.Struct.Biol., 169, 2010
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5CG5
 | | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION | | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | | Deposit date: | 2015-07-09 | | Release date: | 2015-10-14 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.402 Å), X-RAY DIFFRACTION | | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
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2CZP
 | | Structural analysis of membrane-bound mastoparan-X by solid-state NMR | | Descriptor: | Mastoparan X | | Authors: | Todokoro, Y, Fujiwara, T, Yumen, I, Fukushima, K, Kang, S.-W, Park, J.-S, Kohno, T, Wakamatsu, K, Akutsu, H. | | Deposit date: | 2005-07-14 | | Release date: | 2006-07-04 | | Last modified: | 2022-03-09 | | Method: | SOLID-STATE NMR | | Cite: | Structure of tightly membrane-bound mastoparan-x, a g-protein-activating Peptide, determined by solid-state NMR.
Biophys.J., 91, 2006
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5CG6
 | | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate and isopentenyl pyrophosphate | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Yokoyama, T, Mizuguchi, M, Ostermann, A, Kusaka, K, Niimura, N, Schrader, T.E, Tanaka, I. | | Deposit date: | 2015-07-09 | | Release date: | 2015-10-14 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase
J.Med.Chem., 58, 2015
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6KK8
 | | XN joint refinement of manganese catalase from Thermus Thermophilus HB27 | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (III) ION, OXYGEN ATOM, ... | | Authors: | Yamada, T, Yano, N, Kusaka, K. | | Deposit date: | 2019-07-24 | | Release date: | 2019-09-04 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.37 Å), X-RAY DIFFRACTION | | Cite: | Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27
J.Appl.Crystallogr., 2019
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7VEI
 | | Neutron structure of D2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-09-08 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | NEUTRON DIFFRACTION (2 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7FCW
 | | X-ray structure of H2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-07-15 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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7FCU
 | | X-ray structure of D2O-solvent lysozyme | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Chatake, T, Tanaka, I, Kusaka, K, Fujiwara, S. | | Deposit date: | 2021-07-15 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Protonation states of hen egg-white lysozyme observed using D/H contrast neutron crystallography.
Acta Crystallogr D Struct Biol, 78, 2022
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3WBL
 | | Crystal structure of CDK2 in complex with pyrazolopyrimidine inhibitor | | Descriptor: | ACETATE ION, Cyclin-dependent kinase 2, N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine | | Authors: | Fujino, A, Fukushima, K, Kubota, T, Kosugi, T, Takimoto-Kamimura, M. | | Deposit date: | 2013-05-20 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human cyclin-dependent kinase-2 complex with MK2 inhibitor TEI-I01800: insight into the selectivity.
J.SYNCHROTRON RADIAT., 20, 2013
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3WI6
 | | Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor | | Descriptor: | MAP kinase-activated protein kinase 2, N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine | | Authors: | Fujino, A, Fukushima, K, Kubota, T, Matsumoto, Y, Takimoto-Kamimura, M. | | Deposit date: | 2013-09-06 | | Release date: | 2013-12-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structure of the beta-form of human MK2 in complex with the non-selective kinase inhibitor TEI-L03090
Acta Crystallogr.,Sect.F, 69, 2013
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2Z7F
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2GEJ
 | | Crystal Structure of phosphatidylinositol mannosyltransferase (PimA) from Mycobacterium smegmatis in complex with GDP-Man | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, PHOSPHATIDYLINOSITOL MANNOSYLTRANSFERASE (PimA) | | Authors: | Guerin, M.E, Buschiazzo, A, Kordulakova, J, Jackson, M, Alzari, P.M. | | Deposit date: | 2006-03-20 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Molecular recognition and interfacial catalysis by the essential phosphatidylinositol mannosyltransferase PimA from mycobacteria.
J.Biol.Chem., 282, 2007
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7YK9
 | | Neutron Structure of PcyA I86D Mutant Complexed with Biliverdin at Room Temperature | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase | | Authors: | Unno, M, Igarashi, K. | | Deposit date: | 2022-07-22 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
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7YKB
 | | Neutron Structure of PcyA D105N Mutant Complexed with Biliverdin at Room Temperature | | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase, SODIUM ION | | Authors: | Unno, M, Nanasawa, R. | | Deposit date: | 2022-07-22 | | Release date: | 2023-01-25 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.38 Å), X-RAY DIFFRACTION | | Cite: | Neutron crystallography and quantum chemical analysis of bilin reductase PcyA mutants reveal substrate and catalytic residue protonation states.
J.Biol.Chem., 299, 2022
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5KOQ
 | | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | | Deposit date: | 2016-07-01 | | Release date: | 2016-11-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors.
Bioorg.Med.Chem., 24, 2016
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