4QEE
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4QDW
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![BU of 4qdw by Molmil](/molmil-images/mine/4qdw) | Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Ni2+ ions and linear L-arabinose | Descriptor: | L-arabinose, NICKEL (II) ION, Xylose isomerase | Authors: | Kovalevsky, A.Y, Langan, P. | Deposit date: | 2014-05-14 | Release date: | 2014-09-03 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study. Structure, 22, 2014
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4QE5
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4QE4
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4QEH
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4QDP
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![BU of 4qdp by Molmil](/molmil-images/mine/4qdp) | Joint X-ray and neutron structure of Streptomyces rubiginosus D-xylose isomerase in complex with two Cd2+ ions and cyclic beta-L-arabinose | Descriptor: | CADMIUM ION, Xylose isomerase, beta-L-arabinopyranose | Authors: | Kovalevsky, A.Y, Langan, P. | Deposit date: | 2014-05-14 | Release date: | 2014-09-03 | Last modified: | 2024-02-28 | Method: | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | Cite: | L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study. Structure, 22, 2014
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4QE1
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4HKL
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![BU of 4hkl by Molmil](/molmil-images/mine/4hkl) | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HKO
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![BU of 4hko by Molmil](/molmil-images/mine/4hko) | Crystal Structures of Mutant Endo-beta-1,4-xylanase II (E177Q) in the apo form | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HK8
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![BU of 4hk8 by Molmil](/molmil-images/mine/4hk8) | Crystal Structures of Mutant Endo- -1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | Descriptor: | CITRIC ACID, Endo-1,4-beta-xylanase 2, GLYCEROL, ... | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.151 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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4HK9
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![BU of 4hk9 by Molmil](/molmil-images/mine/4hk9) | Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A) | Descriptor: | Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Langan, P, Wan, Q, Coates, L, Kovalevsky, A. | Deposit date: | 2012-10-15 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
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6ZAK
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![BU of 6zak by Molmil](/molmil-images/mine/6zak) | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. | Descriptor: | Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, SULFATE ION, ... | Authors: | 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. | Deposit date: | 2020-06-05 | Release date: | 2022-01-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Room temperature XFEL Isopenicillin N synthase structure in complex with the Fe(IV)=O mimic VO and ACV. To Be Published
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4UW8
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![BU of 4uw8 by Molmil](/molmil-images/mine/4uw8) | Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain | Descriptor: | CITRATE ANION, L-SHAPED TAIL FIBER PROTEIN | Authors: | Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J. | Deposit date: | 2014-08-08 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone. Viruses, 7, 2015
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4UW7
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![BU of 4uw7 by Molmil](/molmil-images/mine/4uw7) | Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber without its intra-molecular chaperone domain | Descriptor: | GLYCEROL, L-SHAPED TAIL FIBER PROTEIN | Authors: | Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J. | Deposit date: | 2014-08-08 | Release date: | 2015-08-05 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone. Viruses, 7, 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+ | Descriptor: | DIHYDROFOLIC ACID, Dihydrofolate reductase, MANGANESE (II) ION, ... | Authors: | Wan, Q, Kovalevsky, A.Y, Wilson, M, Langan, P, Dealwis, C, Bennett, B. | Deposit date: | 2014-04-18 | Release date: | 2015-04-15 | Last modified: | 2024-04-03 | Method: | NEUTRON DIFFRACTION (1.599 Å), X-RAY DIFFRACTION | Cite: | 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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4XQW
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![BU of 4xqw by Molmil](/molmil-images/mine/4xqw) | X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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4XPV
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![BU of 4xpv by Molmil](/molmil-images/mine/4xpv) | Neutron and X-ray structure analysis of xylanase: N44D at pH6 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-18 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | 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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4XQ4
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![BU of 4xq4 by Molmil](/molmil-images/mine/4xq4) | X-ray structure analysis of xylanase - N44D | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 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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4XQD
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![BU of 4xqd by Molmil](/molmil-images/mine/4xqd) | X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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3L45
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![BU of 3l45 by Molmil](/molmil-images/mine/3l45) | A Joint Neutron and X-ray structure of Oxidized Amicyanin | Descriptor: | Amicyanin, COPPER (II) ION | Authors: | Sukumar, N, Mathews, F.S, Langan, P, Davidson, V.L. | Deposit date: | 2009-12-18 | Release date: | 2010-04-28 | Last modified: | 2023-09-13 | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | Cite: | A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transfer. Proc.Natl.Acad.Sci.USA, 107, 2010
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5C6E
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![BU of 5c6e by Molmil](/molmil-images/mine/5c6e) | Joint X-ray/neutron structure of equine cyanomet hemoglobin in R state | Descriptor: | CYANIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Dajnowicz, S, Sean, S, Hanson, B.L, Fisher, S.Z, Langan, P, Kovalevsky, A.Y, Mueser, T.C. | Deposit date: | 2015-06-22 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Visualizing the Bohr effect in hemoglobin: neutron structure of equine cyanomethemoglobin in the R state and comparison with human deoxyhemoglobin in the T state. Acta Crystallogr D Struct Biol, 72, 2016
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4ZFH
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![BU of 4zfh by Molmil](/molmil-images/mine/4zfh) | Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -Y56A | Descriptor: | Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -Y56A, MAGNESIUM ION | Authors: | Chuankhayan, P, Saoin, S, Chupradit, K, Wisitponchai, T, Intachai, K, Kitidee, K, Nangola, S, Sanghiran, L.V, Hong, S.S, Boulanger, P, Tayapiwatana, C, Chen, C.J. | Deposit date: | 2015-04-21 | Release date: | 2016-04-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant- Y56A To Be Published
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4HLL
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![BU of 4hll by Molmil](/molmil-images/mine/4hll) | Crystal structure of Artificial ankyrin repeat protein_Ank(GAG)1D4 | Descriptor: | Ankyrin(GAG)1D4 | Authors: | Chuankhayan, P, Nangola, S, Minard, P, Boulanger, P, Hong, S.S, Tayapiwatana, C, Chen, C.-J. | Deposit date: | 2012-10-17 | Release date: | 2013-10-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of Gag bioactive determinants specific to designed ankyrin and interfering in HIV-1 assembly To be Published
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5LXL
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![BU of 5lxl by Molmil](/molmil-images/mine/5lxl) | NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10 | Descriptor: | Decoration protein | Authors: | Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S. | Deposit date: | 2016-09-22 | Release date: | 2017-04-19 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid. Sci Rep, 7, 2017
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5GIK
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![BU of 5gik by Molmil](/molmil-images/mine/5gik) | Modulation of the affinity of a HIV-1 capsid-directed ankyrin towards its viral target through critical amino acid editing | Descriptor: | Artificial ankyrin repeat protein_Ank(GAG)1D4 mutant -S45Y, GLYCEROL | Authors: | Chuankhayan, P, Saoin, S, Wisitponchai, T, Intachai, K, Chupradit, K, Moonmuang, S, Kitidee, K, Nangola, S, Sanghiran, L.V, Hong, S.S, Boulanger, P, Tayapiwatana, C, Chen, C.J. | Deposit date: | 2016-06-24 | Release date: | 2017-06-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Modulation of the affinity of a HIV-1 capsid-directed ankyrintowards its viral target through critical amino acid editing To Be Published
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