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7ORR
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BU of 7orr by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
Descriptor: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
Deposit date:2021-06-06
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
6ZCT
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BU of 6zct by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
Descriptor: ZINC ION, nsp10
Authors:Rogstam, A, Nyblom, M, Christensen, S, Sele, C, Lindvall, T, Rasmussen, A.A, Andre, I, Fisher, S.Z, Knecht, W, Kozielski, F.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
6ZPE
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BU of 6zpe by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
Descriptor: CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ...
Authors:Fisher, S.Z, Kozielski, F.
Deposit date:2020-07-08
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
3KMF
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BU of 3kmf by Molmil
Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kovalevsky, A.Y, Morimoto, Y, Chatake, T.
Deposit date:2009-11-10
Release date:2010-04-21
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Direct Determination of Protonation States of Histidine Residues in a 2 A Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications for the Bohr Effect.
J.Mol.Biol., 398, 2010
4XQD
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BU of 4xqd by Molmil
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
4XQW
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BU of 4xqw by Molmil
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
4XPV
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BU of 4xpv by Molmil
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
4XQ4
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BU of 4xq4 by Molmil
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
2HFW
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BU of 2hfw by Molmil
Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III
Descriptor: Carbonic anhydrase 3, ZINC ION
Authors:Elder, I, Fisher, S.Z, Laipis, P.J, Tu, C.K, McKenna, R, Silverman, D.N.
Deposit date:2006-06-26
Release date:2007-05-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Proteins, 68, 2007
3U7T
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BU of 3u7t by Molmil
Room temperature ultra-high resolution time-of-flight neutron and X-ray diffraction studies of H/D exchanged crambin
Descriptor: Crambin
Authors:Chen, J.C.-H.
Deposit date:2011-10-14
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Room-temperature ultrahigh-resolution time-of-flight neutron and X-ray diffraction studies of H/D-exchanged crambin.
Acta Crystallogr.,Sect.F, 68, 2012
4DUO
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BU of 4duo by Molmil
Room-temperature X-ray structure of D-Xylose Isomerase in complex with 2Mg2+ ions and xylitol at pH 7.7
Descriptor: MAGNESIUM ION, Xylitol, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2012-02-22
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4DVO
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BU of 4dvo by Molmil
Room-temperature joint X-ray/neutron structure of D-xylose isomerase in complex with 2Ni2+ and per-deuterated D-sorbitol at pH 5.9
Descriptor: NICKEL (II) ION, Xylose isomerase, sorbitol
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2012-02-23
Release date:2012-08-29
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Inhibition of D-xylose isomerase by polyols: atomic details by joint X-ray/neutron crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
4QE5
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BU of 4qe5 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribulose
Descriptor: MAGNESIUM ION, Xylose isomerase, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QE4
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BU of 4qe4 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribulose
Descriptor: NICKEL (II) ION, Xylose isomerase, beta-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QEH
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BU of 4qeh by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Mg2+ ions and L-ribose
Descriptor: MAGNESIUM ION, Xylose isomerase, beta-L-ribofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-16
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDP
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BU of 4qdp by Molmil
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
4QEE
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BU of 4qee by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Ni2+ ions and L-ribose
Descriptor: NICKEL (II) ION, Xylose isomerase, alpha-L-ribofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:L-Arabinose Binding, Isomerization, and Epimerization by D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study.
Structure, 22, 2014
4QDW
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BU of 4qdw by Molmil
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
4QE1
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BU of 4qe1 by Molmil
Room temperature X-ray structure of D-xylose isomerase in complex with two Cd2+ ions and L-ribulose
Descriptor: CADMIUM ION, Xylose isomerase, alpha-L-ribulofuranose
Authors:Kovalevsky, A.Y, Langan, P.
Deposit date:2014-05-15
Release date:2014-09-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
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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