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3OWT
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BU of 3owt by Molmil
Crystal structure of S. cerevisiae RAP1-Sir3 complex
Descriptor: DNA-binding protein RAP1, Regulatory protein SIR3
Authors:Chen, Y, Yang, Y, Lei, M.
Deposit date:2010-09-20
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A conserved motif within RAP1 has diversified roles in telomere protection and regulation in different organisms.
Nat.Struct.Mol.Biol., 18, 2011
6K28
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BU of 6k28 by Molmil
Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE
Descriptor: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-05-13
Release date:2019-07-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
6JYY
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BU of 6jyy by Molmil
Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia
Descriptor: Hydroxyethylthiazole kinase
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-04-29
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 518, 2019
7DDC
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BU of 7ddc by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with Tafenoquine
Descriptor: 3C-like proteinase, Tafenoquine
Authors:Chen, Y, Wang, Y.C, Yang, C.S, Hung, M.C.
Deposit date:2020-10-28
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.175 Å)
Cite:Tafenoquine and its derivatives as inhibitors for the severe acute respiratory syndrome coronavirus 2.
J.Biol.Chem., 298, 2022
3RSN
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BU of 3rsn by Molmil
Crystal Structure of the N-terminal region of Human Ash2L
Descriptor: Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION
Authors:Chen, Y, Wan, B, Wang, K.C, Cao, F, Yang, Y, Protacio, A, Dou, Y, Chang, H.Y, Lei, M.
Deposit date:2011-05-02
Release date:2011-06-22
Last modified:2011-12-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the N-terminal region of human Ash2L shows a winged-helix motif involved in DNA binding.
Embo Rep., 12, 2011
8UAP
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BU of 8uap by Molmil
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
Descriptor: (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
Authors:Chen, Y, Tesmer, J.J.G.
Deposit date:2023-09-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
8UAQ
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BU of 8uaq by Molmil
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21
Descriptor: (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5
Authors:Chen, Y, Tesmer, J.J.G.
Deposit date:2023-09-21
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
8JIG
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BU of 8jig by Molmil
A Novel UHRF1-Targeted Compound
Descriptor: E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
Authors:Chen, Y, Jiang, L.
Deposit date:2023-05-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel UHRF1-Targeted Compound
To Be Published
7CVH
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BU of 7cvh by Molmil
Human Fructose-1,6-bisphosphatase 1 in complex with geranylgeranyl diphosphate
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ...
Authors:Chen, Y, Zhang, J, Li, C, Cao, Y.
Deposit date:2020-08-26
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The structural basis for GGPP activation on the enzymatic activities FBP1
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
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
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
6B5G
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BU of 6b5g by Molmil
ALDH1A2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118)
Descriptor: (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone, 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 (2.2 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
6B5I
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BU of 6b5i by Molmil
ALDH1A2 liganded with 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, 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 (2.6 Å)
Cite:Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.
ACS Chem. Biol., 13, 2018
3PUM
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BU of 3pum by Molmil
Crystal structure of P domain dimer of Norovirus VA207
Descriptor: Capsid
Authors:Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z.
Deposit date:2010-12-06
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens
Plos Pathog., 7, 2011
6KZW
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BU of 6kzw by Molmil
Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
Descriptor: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
Authors:Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
Deposit date:2019-09-25
Release date:2019-10-16
Last modified:2021-01-13
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
3PUN
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BU of 3pun by Molmil
Crystal structure of P domain dimer of Norovirus VA207 with Lewis y tetrasaccharide
Descriptor: Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Chen, Y, Tan, M, Xia, M, Hao, N, Zhang, X.C, Huang, P, Jiang, X, Li, X, Rao, Z.
Deposit date:2010-12-06
Release date:2011-08-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystallography of a Lewis-binding norovirus, elucidation of strain-specificity to the polymorphic human histo-blood group antigens
Plos Pathog., 7, 2011
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
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
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
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
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

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