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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
8CC3
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BU of 8cc3 by Molmil
Vibrio cholerae GbpA (LPMO domain)
Descriptor: ACETATE ION, COPPER (II) ION, GlcNAc-binding protein A, ...
Authors:Montserrat-Canals, M, Sorensen, H.V, Cordara, G, Krengel, U.
Deposit date:2023-01-26
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.128 Å)
Cite:Perdeuterated GbpA Enables Neutron Scattering Experiments of a Lytic Polysaccharide Monooxygenase.
Acs Omega, 8, 2023
8CC5
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BU of 8cc5 by Molmil
Vibrio cholerae GbpA (LPMO domain)
Descriptor: ACETATE ION, COPPER (II) ION, GlcNAc-binding protein A, ...
Authors:Montserrat-Canals, M, Sorensen, H.V, Cordara, G, Krengel, U.
Deposit date:2023-01-26
Release date:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Perdeuterated GbpA Enables Neutron Scattering Experiments of a Lytic Polysaccharide Monooxygenase.
Acs Omega, 8, 2023
6RQW
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BU of 6rqw by Molmil
X-ray crystal structure of perdeuterated (D) small monoclinic unit cell CA IX SV.
Descriptor: Carbonic anhydrase 9, FORMIC ACID, ZINC ION
Authors:Fisher, Z, Koruza, K.
Deposit date:2019-05-16
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
4FC1
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BU of 4fc1 by Molmil
Ultra-high resolution neutron structure of crambin at room-temperature
Descriptor: Crambin
Authors:Kovalevsky, A.Y, Chen, J.C.-H.
Deposit date:2012-05-23
Release date:2012-09-19
Last modified:2018-06-06
Method:NEUTRON DIFFRACTION (1.1 Å)
Cite:Direct observation of hydrogen atom dynamics and interactions by ultrahigh resolution neutron protein crystallography.
Proc.Natl.Acad.Sci.USA, 109, 2012
3CWH
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BU of 3cwh by Molmil
D-xylose Isomerase in complex with linear product, per-deuterated xylulose
Descriptor: D-XYLULOSE, HYDROXIDE ION, MAGNESIUM ION, ...
Authors:Kovalevsky, A.Y, Langan, P, Glusker, J.P.
Deposit date:2008-04-21
Release date:2008-08-05
Last modified:2023-08-30
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Hydrogen location in stages of an enzyme-catalyzed reaction: time-of-flight neutron structure of D-xylose isomerase with bound D-xylulose
Biochemistry, 47, 2008
6RQN
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BU of 6rqn by Molmil
X-ray crystal structure of protiated (H) small monoclinic unit cell CA IX SV.
Descriptor: ACETATE ION, Carbonic anhydrase 9, ZINC ION
Authors:Fisher, Z, Koruza, K.
Deposit date:2019-05-16
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6RQU
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BU of 6rqu by Molmil
X-ray crystal structure of H/D exchanged (H/D) small monoclinic unit cell CA IX SV.
Descriptor: ACETATE ION, Carbonic anhydrase 9, ZINC ION
Authors:Fisher, Z, Koruza, K.
Deposit date:2019-05-16
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
6RQQ
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BU of 6rqq by Molmil
X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV.
Descriptor: Carbonic anhydrase 9, FORMIC ACID, ZINC ION
Authors:Fisher, Z, Koruza, K.
Deposit date:2019-05-16
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.276 Å)
Cite:Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX.
Acta Crystallogr D Struct Biol, 75, 2019
4S2G
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BU of 4s2g by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 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
4S2D
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BU of 4s2d by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II in complex with MES at pH 5.7
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A.Y, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 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
4S2F
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BU of 4s2f by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 4.4
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
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
4S2H
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BU of 4s2h by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 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
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
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
7ORV
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BU of 7orv by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (1.95 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
7ORU
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BU of 7oru by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (1.67 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
7ORW
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BU of 7orw by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
Descriptor: 1H-benzimidazol-4-amine, 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 (1.95 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
3QZA
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BU of 3qza by Molmil
Joint neutron and X-ray structure of apo-D-Xylose Isomerase at pH=5.9
Descriptor: Xylose isomerase, deuterium(1+)
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2011-03-04
Release date:2011-08-17
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3RZY
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BU of 3rzy by Molmil
Human adipocyte lipid-binding protein FABP4, Apo form at 1.08 Ang resolution.
Descriptor: Fatty acid-binding protein, adipocyte
Authors:Gonzalez, J.M, Pozharski, E.
Deposit date:2011-05-12
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3QYS
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BU of 3qys by Molmil
Room Temperature X-ray Structure of D-Xylose Isomerase in complex with 0.6Ni2+ cation bound in M2 metal binding site at pH=5.8
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2011-03-03
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of the Elusive Hydronium Ion Exchanging Roles with a Proton in an Enzyme at Lower pH Values.
Angew.Chem.Int.Ed.Engl., 50, 2011
3V3J
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BU of 3v3j by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012

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數據於2024-06-12公開中

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