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4QXK
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BU of 4qxk by Molmil
Joint X-ray/neutron structure of PKGIbeta in complex with cGMP
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1
Authors:Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y.
Deposit date:2014-07-21
Release date:2014-11-12
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION
Cite:Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
7T2V
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BU of 7t2v by Molmil
SARS CoV2 Mpro C145S mutant
Descriptor: 3C-Like Protease
Authors:Mathews, I.I, Hameedi, M.A, Wakatsuki, S.
Deposit date:2021-12-06
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Nat Commun, 13, 2022
7T2T
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BU of 7t2t by Molmil
SARS-CoV2 Mpro native form
Descriptor: 3C-like proteinase
Authors:Mathews, I.I, Hameedi, M.A, Wakatsuki, S.
Deposit date:2021-12-06
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Nat Commun, 13, 2022
7T2U
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BU of 7t2u by Molmil
SARS-CoV2 3C-Like protease complexed with Nemo peptide
Descriptor: 3C-Like Protease, NEMO peptide
Authors:Wakatsuki, S, Mathews, I.I, Hameedi, M.A.
Deposit date:2021-12-06
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional characterization of NEMO cleavage by SARS-CoV-2 3CLpro.
Nat Commun, 13, 2022
5T8H
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BU of 5t8h by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with amprenavir at pH 6.0
Descriptor: Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
Authors:Kovalevsky, A.Y, Gerlits, O.O.
Deposit date:2016-09-07
Release date:2017-03-01
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
Cite:Room Temperature Neutron Crystallography of Drug Resistant HIV-1 Protease Uncovers Limitations of X-ray Structural Analysis at 100 K.
J. Med. Chem., 60, 2017
5VK7
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BU of 5vk7 by Molmil
aspartate aminotransferase pH 4.0
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C.
Deposit date:2017-04-21
Release date:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme.
Nat Commun, 8, 2017
5VJZ
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BU of 5vjz by Molmil
Joint X-ray/neutron structure of aspartate aminotransferase with alpha-methyl-aspartate at pH 7.5
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-SUCCINIC ACID, Aspartate aminotransferase, cytoplasmic
Authors:Dajnowicz, S, Kovalevsky, A.Y, Mueser, T.C.
Deposit date:2017-04-20
Release date:2017-11-01
Last modified:2022-03-16
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Direct visualization of critical hydrogen atoms in a pyridoxal 5'-phosphate enzyme.
Nat Commun, 8, 2017
8EZC
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BU of 8ezc by Molmil
X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine
Descriptor: SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain
Authors:Drago, V.N, Mueser, T.C.
Deposit date:2022-10-31
Release date:2024-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
6JWB
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BU of 6jwb by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-04-19
Release date:2020-04-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6K9W
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BU of 6k9w by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-06-18
Release date:2021-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6JUG
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BU of 6jug by Molmil
Crystal Structures of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-04-13
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWD
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BU of 6kwd by Molmil
Crystal Structure Analysis of Endo-beta-1,4-Xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KW9
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BU of 6kw9 by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWG
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BU of 6kwg by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWF
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BU of 6kwf by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2020-12-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
6KWC
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BU of 6kwc by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II
Descriptor: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2021-01-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
5TOQ
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BU of 5toq by Molmil
High resolution crystal structure of AAT
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
6MO3
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BU of 6mo3 by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from L-serine
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ...
Authors:Phillips, R.S.
Deposit date:2018-10-04
Release date:2019-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
6MLS
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BU of 6mls by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from L-tyrosine
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ...
Authors:Phillips, R.S.
Deposit date:2018-09-27
Release date:2019-10-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
6MPD
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BU of 6mpd by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from 3-F-L-tyrosine
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-FLUOROTYROSINE, ...
Authors:Phillips, R.S.
Deposit date:2018-10-05
Release date:2019-10-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
6MME
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BU of 6mme by Molmil
Citrobacter freundii tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from S-ethyl-L-cysteine
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ...
Authors:Phillips, R.S.
Deposit date:2018-09-30
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020
4PSY
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BU of 4psy by Molmil
100K crystal structure of Escherichia coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Wilson, M.A, Wan, Q, Bennet, B.C, Dealwis, C, Ringe, D, Petsko, G.A.
Deposit date:2014-03-08
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 22, 2014
5TON
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BU of 5ton by Molmil
Crystal structure of AAT H143L mutant
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
5TOR
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BU of 5tor by Molmil
Crystal structure of AAT D222T mutant
Descriptor: Aspartate aminotransferase, cytoplasmic
Authors:Mueser, T.C, Dajnowicz, S, Kovalevsky, A.
Deposit date:2016-10-18
Release date:2017-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Direct evidence that an extended hydrogen-bonding network influences activation of pyridoxal 5'-phosphate in aspartate aminotransferase.
J. Biol. Chem., 292, 2017
6MQQ
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BU of 6mqq by Molmil
Citrobacter freundii F448A mutant tyrosine phenol-lyase complexed with 4-hydroxypyridine and aminoacrylate from S-ethyl-L-cysteine
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, POTASSIUM ION, ...
Authors:Phillips, R.S.
Deposit date:2018-10-10
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Acs Catalysis, 10, 2020

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