4S2F
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![BU of 4s2f by Molmil](/molmil-images/mine/4s2f) | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 4.4 | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PDJ
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![BU of 4pdj by Molmil](/molmil-images/mine/4pdj) | Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ | 分子名称: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | 著者 | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | 登録日 | 2014-04-18 | 公開日 | 2015-04-15 | 最終更新日 | 2024-04-03 | 実験手法 | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | 主引用文献 | Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography. Proc.Natl.Acad.Sci.USA, 111, 2014
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4S2H
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![BU of 4s2h by Molmil](/molmil-images/mine/4s2h) | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5 | 分子名称: | Endo-1,4-beta-xylanase 2, IODIDE ION | 著者 | Kovalevsky, A, Wan, Q, Langan, P. | 登録日 | 2015-01-20 | 公開日 | 2015-09-23 | 最終更新日 | 2019-12-25 | 実験手法 | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | 主引用文献 | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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3BYC
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![BU of 3byc by Molmil](/molmil-images/mine/3byc) | Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H | 分子名称: | CALCIUM ION, Diisopropyl-fluorophosphatase | 著者 | Blum, M.-M, Mustyakimov, M, Ruterjans, H, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | 登録日 | 2008-01-15 | 公開日 | 2009-01-27 | 最終更新日 | 2024-02-21 | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | 主引用文献 | Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement. Proc.Natl.Acad.Sci.Usa, 106, 2009
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4JEC
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![BU of 4jec by Molmil](/molmil-images/mine/4jec) | Joint neutron and X-ray structure of per-deuterated HIV-1 protease in complex with clinical inhibitor amprenavir | 分子名称: | CHLORIDE ION, HIV-1 protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | 著者 | Kovalevsky, A.Y, Weber, I.T, Langan, P. | 登録日 | 2013-02-26 | 公開日 | 2013-07-24 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2.01 Å), X-RAY DIFFRACTION | 主引用文献 | Joint X-ray/Neutron Crystallographic Study of HIV-1 Protease with Clinical Inhibitor Amprenavir: Insights for Drug Design. J.Med.Chem., 56, 2013
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4JMQ
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![BU of 4jmq by Molmil](/molmil-images/mine/4jmq) | Crystal structure of pb9: The Dit of bacteriophage T5. | 分子名称: | Bacteriophage T5 distal tail protein | 著者 | Flayhan, A, Vellieux, F.M.D, Girard, E, Maury, O, Boulanger, P, Breyton, C. | 登録日 | 2013-03-14 | 公開日 | 2013-11-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.895 Å) | 主引用文献 | Crystal Structure of pb9, the Distal Tail Protein of Bacteriophage T5: a Conserved Structural Motif among All Siphophages. J.Virol., 88, 2014
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4O22
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![BU of 4o22 by Molmil](/molmil-images/mine/4o22) | Binary complex of metal-free PKAc with SP20. | 分子名称: | Phosphorylated peptide pSP20., cAMP-dependent protein kinase catalytic subunit alpha. | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S.S. | 登録日 | 2013-12-16 | 公開日 | 2014-05-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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4O21
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![BU of 4o21 by Molmil](/molmil-images/mine/4o21) | Product complex of metal-free PKAc, ATP-gamma-S and SP20. | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Thio-phosphorylated peptide pSP20, cAMP-dependent protein kinase catalytic subunit alpha | 著者 | Das, A, Kovalevsky, A.Y, Gerlits, O, Langan, P, Heller, W.T, Keshwani, M, Taylor, S. | 登録日 | 2013-12-16 | 公開日 | 2014-05-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer. Biochemistry, 53, 2014
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3QZA
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![BU of 3qza by Molmil](/molmil-images/mine/3qza) | |
3QBA
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![BU of 3qba by Molmil](/molmil-images/mine/3qba) | Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Z-DNA (X-ray) | 分子名称: | Z-DNA | 著者 | Fenn, T.D, Schnieders, M.J, Mustyakimov, M, Wu, C, Langan, P, Pande, V.S, Brunger, A.T. | 登録日 | 2011-01-12 | 公開日 | 2011-03-02 | 最終更新日 | 2024-02-21 | 実験手法 | NEUTRON DIFFRACTION (1.53 Å), X-RAY DIFFRACTION | 主引用文献 | Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration. Structure, 19, 2011
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3QYS
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2PKY
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![BU of 2pky by Molmil](/molmil-images/mine/2pky) | The Effect of Deuteration on Protein Structure A High Resolution Comparison of Hydrogenous and Perdeuterated Haloalkane Dehalogenase | 分子名称: | Haloalkane dehalogenase | 著者 | Liu, X, Hanson, L, Langan, P, Viola, R.E. | 登録日 | 2007-04-18 | 公開日 | 2007-09-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The effect of deuteration on protein structure: a high-resolution comparison of hydrogenous and perdeuterated haloalkane dehalogenase. Acta Crystallogr.,Sect.D, 63, 2007
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4DH3
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![BU of 4dh3 by Molmil](/molmil-images/mine/4dh3) | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ATP and IP20 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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4DH8
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![BU of 4dh8 by Molmil](/molmil-images/mine/4dh8) | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20 | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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4DVO
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![BU of 4dvo by Molmil](/molmil-images/mine/4dvo) | Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9 | 分子名称: | NICKEL (II) ION, Xylose isomerase, sorbitol | 著者 | Kovalevsky, A.Y, Hanson, L, Langan, P. | 登録日 | 2012-02-23 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4DH1
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![BU of 4dh1 by Molmil](/molmil-images/mine/4dh1) | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with low Mg2+, ATP and IP20 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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4DH5
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![BU of 4dh5 by Molmil](/molmil-images/mine/4dh5) | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20 | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-01-23 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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4DUO
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![BU of 4duo by Molmil](/molmil-images/mine/4duo) | Room-temperature X-ray structure of D-Xylose Isomerase in complex with 2Mg2+ ions and xylitol at pH 7.7 | 分子名称: | MAGNESIUM ION, Xylitol, Xylose isomerase | 著者 | Kovalevsky, A.Y, Hanson, L, Langan, P. | 登録日 | 2012-02-22 | 公開日 | 2012-08-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography. Acta Crystallogr.,Sect.D, 68, 2012
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4DH7
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![BU of 4dh7 by Molmil](/molmil-images/mine/4dh7) | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20' | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | 著者 | Kovalevsky, A.Y, Langan, P. | 登録日 | 2012-01-27 | 公開日 | 2012-06-27 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity. Acta Crystallogr.,Sect.D, 68, 2012
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2GVE
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![BU of 2gve by Molmil](/molmil-images/mine/2gve) | Time-of-Flight Neutron Diffraction Structure of D-Xylose Isomerase | 分子名称: | COBALT (II) ION, Xylose isomerase | 著者 | Katz, A.K, Li, X, Carrell, H.L, Hanson, B.L, Langan, P, Coates, L, Schoenborn, B.P, Glusker, J.P, Bunick, G.J. | 登録日 | 2006-05-02 | 公開日 | 2006-05-16 | 最終更新日 | 2023-08-30 | 実験手法 | NEUTRON DIFFRACTION (2.2 Å) | 主引用文献 | Locating active-site hydrogen atoms in D-xylose isomerase: Time-of-flight neutron diffraction. Proc.Natl.Acad.Sci.Usa, 103, 2006
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5NGJ
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![BU of 5ngj by Molmil](/molmil-images/mine/5ngj) | Crystal structure of pb6, major tail tube protein of bacteriophage T5 | 分子名称: | CHLORIDE ION, Tail tube protein | 著者 | Arnaud, C.-A, Effantin, G, Vives, C, Engilberge, S, Bacia, M, Boulanger, P, Girard, E, Schoehn, G, Breyton, C. | 登録日 | 2017-03-17 | 公開日 | 2018-01-03 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Bacteriophage T5 tail tube structure suggests a trigger mechanism for Siphoviridae DNA ejection. Nat Commun, 8, 2017
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6ZW8
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![BU of 6zw8 by Molmil](/molmil-images/mine/6zw8) | Isopenicillin N synthase in complex with Cd and ACV. | 分子名称: | CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-07-27 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAG
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![BU of 6zag by Molmil](/molmil-images/mine/6zag) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 500ms. | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-06-05 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4001 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAN
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![BU of 6zan by Molmil](/molmil-images/mine/6zan) | Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV. | 分子名称: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-06-05 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6ZAH
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![BU of 6zah by Molmil](/molmil-images/mine/6zah) | Room temperature XFEL Isopenicillin N synthase structure in complex with Fe and ACV after exposure to dioxygen for 800ms. | 分子名称: | FE (II) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | 著者 | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | 登録日 | 2020-06-05 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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