5CG6
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![BU of 5cg6 by Molmil](/molmil-images/mine/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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8I4D
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![BU of 8i4d by Molmil](/molmil-images/mine/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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3X2O
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![BU of 3x2o by Molmil](/molmil-images/mine/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
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![BU of 3x2p by Molmil](/molmil-images/mine/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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3U2J
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![BU of 3u2j by Molmil](/molmil-images/mine/3u2j) | Neutron crystal structure of human Transthyretin | Descriptor: | Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N. | Deposit date: | 2011-10-03 | Release date: | 2012-02-22 | Last modified: | 2023-11-01 | Method: | NEUTRON DIFFRACTION (2 Å) | Cite: | Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin J.Struct.Biol., 177, 2012
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3U2I
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![BU of 3u2i by Molmil](/molmil-images/mine/3u2i) | X-ray crystal structure of human Transthyretin at room temperature | Descriptor: | Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M, Nabeshima, Y, Kusaka, K, Yamada, T, Hosoya, T, Ohhara, T, Kurihara, K, Tomoyori, K, Tanaka, I, Niimura, N. | Deposit date: | 2011-10-03 | Release date: | 2012-02-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Hydrogen-bond network and pH sensitivity in transthyretin: Neutron crystal structure of human transthyretin J.Struct.Biol., 177, 2012
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2CZP
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![BU of 2czp by Molmil](/molmil-images/mine/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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5F31
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![BU of 5f31 by Molmil](/molmil-images/mine/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
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![BU of 5f2z by Molmil](/molmil-images/mine/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
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![BU of 5f2t by Molmil](/molmil-images/mine/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
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![BU of 5f34 by Molmil](/molmil-images/mine/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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7YQS
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![BU of 7yqs by Molmil](/molmil-images/mine/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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3A38
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![BU of 3a38 by Molmil](/molmil-images/mine/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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3A39
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![BU of 3a39 by Molmil](/molmil-images/mine/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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6KK8
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![BU of 6kk8 by Molmil](/molmil-images/mine/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
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![BU of 7vei by Molmil](/molmil-images/mine/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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3WBL
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![BU of 3wbl by Molmil](/molmil-images/mine/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
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![BU of 3wi6 by Molmil](/molmil-images/mine/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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![BU of 2z7f by Molmil](/molmil-images/mine/2z7f) | |
7FCW
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![BU of 7fcw by Molmil](/molmil-images/mine/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
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![BU of 7fcu by Molmil](/molmil-images/mine/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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4ZM7
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![BU of 4zm7 by Molmil](/molmil-images/mine/4zm7) | |
6DE4
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![BU of 6de4 by Molmil](/molmil-images/mine/6de4) | Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid | Descriptor: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hajian, B, Wright, D. | Deposit date: | 2018-05-11 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.411 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDS
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![BU of 6dds by Molmil](/molmil-images/mine/6dds) | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid | Descriptor: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ... | Authors: | Hajian, B, Wright, D, Scocchera, E. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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6DDW
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![BU of 6ddw by Molmil](/molmil-images/mine/6ddw) | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid | Descriptor: | Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ... | Authors: | Hajian, B, Scocchera, E, Wright, D. | Deposit date: | 2018-05-10 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Cell Chem Biol, 26, 2019
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