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7D1G
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BU of 7d1g by Molmil
Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase GAPDH from Clostridium beijerinckii
Descriptor: BETA-MERCAPTOETHANOL, Glyceraldehyde-3-phosphate dehydrogenase, MAGNESIUM ION
Authors:Chen, Y, Lan, J, Liu, W, Wang, L, Xu, Y.
Deposit date:2020-09-14
Release date:2021-03-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of Glyceraldehyde-3-Phosphate Dehydrogenase GAPDH from Clostridium beijerinckii
To Be Published
7D54
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BU of 7d54 by Molmil
Crstal structure MsGATase with Gln
Descriptor: GLUTAMINE, Glutamine amidotransferase class-I
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D53
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BU of 7d53 by Molmil
SpuA mutant - H221N with Glu
Descriptor: GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D50
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BU of 7d50 by Molmil
SpuA mutant - H221N with glutamyl-thioester
Descriptor: MAGNESIUM ION, Probable glutamine amidotransferase
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
7D4R
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BU of 7d4r by Molmil
SpuA native structure
Descriptor: MAGNESIUM ION, Probable glutamine amidotransferase
Authors:Chen, Y, Zhang, Q, Bartlam, M.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
Acta Crystallogr D Struct Biol, 77, 2021
6JTI
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BU of 6jti by Molmil
Crystal structure of native NagZ from Neisseria gonorrhoeae
Descriptor: Beta-hexosaminidase
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of native NagZ from Neisseria gonorrhoeae
To Be Published
6JTL
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BU of 6jtl by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
Descriptor: Beta-hexosaminidase, ZINC ION
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
To Be Published
6JTJ
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BU of 6jtj by Molmil
Crystal structure of NagZ from Neisseria gonorrhoeae in complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase
Authors:Chen, Y.
Deposit date:2019-04-11
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of native NagZ from Neisseria gonorrhoeae in complex with N-acetylglucosamine
To Be Published
6LQX
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BU of 6lqx by Molmil
Crystal structure of the CBP bromodomain in complex with small molecule LC-CPin7
Descriptor: (1~{S},6~{R})-6-[(1-methoxycarbonyl-3,4-dihydro-2~{H}-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, CREB-binding protein, SODIUM ION
Authors:Chen, Y, Zhang, F, Sun, Z, Bi, X, Luo, C.
Deposit date:2020-01-14
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Design, synthesis and biological evaluation of novel small molecule inhibitor of the CBP bromodomain with possible anti-leukemia effects
To Be Published
7WVI
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BU of 7wvi by Molmil
Crystal structure of SIA28
Descriptor: Heavy chain of SIA28, Light chain of SIA28
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVG
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BU of 7wvg by Molmil
Crystal structure of H18 complexed with SIA28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ...
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
7WVD
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BU of 7wvd by Molmil
Crystal structure of H14 complexed with SIA28
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ...
Authors:Chen, Y, Qi, J, Gao, G.F.
Deposit date:2022-02-10
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.39 Å)
Cite:Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
8OEV
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BU of 8oev by Molmil
Structure of the mammalian Pol II-SPT6-Elongin complex, lacking ELOA latch (composite structure, structure 3)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Chen, Y, Kokic, G, Dienemann, C, Dybkov, O, Urlaub, H, Cramer, P.
Deposit date:2023-03-13
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structure of the transcribing RNA polymerase II-Elongin complex.
Nat.Struct.Mol.Biol., 30, 2023
8OEU
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BU of 8oeu by Molmil
Structure of the mammalian Pol II-SPT6 complex (composite structure, Structure 4)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Chen, Y, Kokic, G, Dienemann, C, Dybkov, O, Urlaub, H, Cramer, P.
Deposit date:2023-03-13
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structure of the transcribing RNA polymerase II-Elongin complex.
Nat.Struct.Mol.Biol., 30, 2023
8OF0
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BU of 8of0 by Molmil
Structure of the mammalian Pol II-SPT6-Elongin complex, Structure 1
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Chen, Y, Kokic, G, Dienemann, C, Dybkov, O, Urlaub, H, Cramer, P.
Deposit date:2023-03-13
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structure of the transcribing RNA polymerase II-Elongin complex.
Nat.Struct.Mol.Biol., 30, 2023
8OEW
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BU of 8oew by Molmil
Structure of the mammalian Pol II-Elongin complex, lacking the ELOA latch (composite structure, structure 2)
Descriptor: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Chen, Y, Kokic, G, Dienemann, C, Dybkov, O, Urlaub, H, Cramer, P.
Deposit date:2023-03-13
Release date:2023-10-18
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the transcribing RNA polymerase II-Elongin complex.
Nat.Struct.Mol.Biol., 30, 2023
7WVB
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BU of 7wvb by Molmil
Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
Descriptor: Fructose-1,6-bisphosphatase 1
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2022-02-10
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Human Fructose-1,6-bisphosphatase 1 mutant R50A in APO R-state
To Be Published
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
5X8G
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BU of 5x8g by Molmil
Binary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with its product analogue OSB-NCoA at 1.90 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
6ALJ
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BU of 6alj by Molmil
ALDH1A2 liganded with NAD and compound WIN18,446
Descriptor: Aldehyde dehydrogenase 1A2, N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-08-08
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6AWH
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BU of 6awh by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AVP
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BU of 6avp by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-04
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWG
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BU of 6awg by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan
Descriptor: (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6AWJ
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BU of 6awj by Molmil
Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Deoxy-MeO-N5Pan with pantothenate present in reaction
Descriptor: (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Type II pantothenate kinase
Authors:Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
6B5H
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BU of 6b5h by Molmil
ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)
Descriptor: 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Retinal dehydrogenase 2
Authors:Chen, Y, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-09-29
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018

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PDB entries from 2024-05-15

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