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5V88
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BU of 5v88 by Molmil
Structure of DCN1 bound to NAcM-COV
Descriptor: Lysozyme,DCN1-like protein 1, N-{2-[({1-[(2R)-pentan-2-yl]piperidin-4-yl}{[3-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]phenyl}propanamide
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
8XFV
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BU of 8xfv by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Descriptor: 3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-14
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
8XGA
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BU of 8xga by Molmil
Crystal structure of human Golgi resident glutaminyl cyclase in complex with (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Descriptor: (3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one, Glutaminyl-peptide cyclotransferase-like protein, ZINC ION
Authors:Li, G.-B, Wang, X.-Y.
Deposit date:2023-12-15
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (3.537 Å)
Cite:X-ray Structure-Guided Discovery of a Potent Benzimidazole Glutaminyl Cyclase Inhibitor That Shows Activity in a Parkinson's Disease Mouse Model.
J.Med.Chem., 67, 2024
7WZX
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BU of 7wzx by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (2~{S},4~{S},6~{R})-2-[(2~{S},3~{R},5~{S},6~{R})-3,5-bis(methylamino)-2,4,6-tris(oxidanyl)cyclohexyl]oxy-6-methyl-4-oxidanyl-oxan-3-one, 4Fe-4S cluster-binding domain-containing protein, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.980013 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7WZV
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BU of 7wzv by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: (1~{S},2~{R},4~{S},5~{R})-2,4-bis(methylamino)-6-[(2~{S},3~{R},4~{S},6~{R})-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-cyclohexane-1,3,5-triol, 1,2-ETHANEDIOL, 4Fe-4S cluster-binding domain-containing protein, ...
Authors:Zhou, J.H, Hou, X.L.
Deposit date:2022-02-19
Release date:2022-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.899313 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7X0B
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BU of 7x0b by Molmil
The structure of a Twitch Radical SAM Dehydrogenase SpeY
Descriptor: 4Fe-4S cluster-binding domain-containing protein, CHLORIDE ION, GLYCEROL, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2022-02-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.02027535 Å)
Cite:Dioxane Bridge Formation during the Biosynthesis of Spectinomycin Involves a Twitch Radical S -Adenosyl Methionine Dehydrogenase That May Have Evolved from an Epimerase.
J.Am.Chem.Soc., 144, 2022
7XC5
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BU of 7xc5 by Molmil
Crystal structure of the ANK domain of CLPB
Descriptor: Isoform 2 of Caseinolytic peptidase B protein homolog
Authors:Liu, Y, Wu, D, Lu, G, Gao, N, Lin, J.
Deposit date:2022-03-23
Release date:2023-01-18
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comprehensive structural characterization of the human AAA+ disaggregase CLPB in the apo- and substrate-bound states reveals a unique mode of action driven by oligomerization.
Plos Biol., 21, 2023
6D2L
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BU of 6d2l by Molmil
Crystal structure of human CARM1 with (S)-SKI-72
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:DONG, A, ZENG, H, WALKER, J.R, Hutchinson, A, Seitova, A, LUO, M, CAI, X.C, KE, W, WANG, J, SHI, C, ZHENG, W, LEE, J.P, IBANEZ, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2018-04-13
Release date:2018-05-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
6GJ7
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BU of 6gj7 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 22
Descriptor: (3~{S})-5-oxidanyl-3-[2-[[[1-(phenylmethyl)indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
5V89
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BU of 5v89 by Molmil
Structure of DCN4 PONY domain bound to CUL1 WHB
Descriptor: Cullin-1, DCN1-like protein 4
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
6GJ6
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BU of 6gj6 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH 18
Descriptor: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A, Phan, J.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
6GJ8
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BU of 6gj8 by Molmil
CRYSTAL STRUCTURE OF KRAS G12D (GPPCP) IN COMPLEX WITH BI 2852
Descriptor: (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase KRas, MAGNESIUM ION, ...
Authors:Kessler, D, Mcconnell, D.M, Mantoulidis, A.
Deposit date:2018-05-16
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Drugging an undruggable pocket on KRAS.
Proc.Natl.Acad.Sci.USA, 116, 2019
8Y1J
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BU of 8y1j by Molmil
Structure of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase ilvA1 from Pseudomonas aeruginosa PAO1
Descriptor: 2-KETOBUTYRIC ACID, L-threonine dehydratase
Authors:Jia, H, Bartlam, M.
Deposit date:2024-01-24
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of the pyridoxal 5'-phosphate-dependent (PLP) threonine deaminase IlvA1 from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 704, 2024
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
7CPU
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BU of 7cpu by Molmil
Cryo-EM structure of 80S ribosome from mouse kidney
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
Deposit date:2020-08-08
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
7CPV
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BU of 7cpv by Molmil
Cryo-EM structure of 80S ribosome from mouse testis
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S13, ...
Authors:Huo, Y.G, He, X, Jiang, T, Qin, Y, Guo, X.J, Sha, J.H.
Deposit date:2020-08-08
Release date:2022-02-02
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:A male germ-cell-specific ribosome controls male fertility.
Nature, 612, 2022
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
5LUH
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BU of 5luh by Molmil
AadA E87Q in complex with ATP, calcium and streptomycin
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Stern, A.L, Van der Verren, S.E, Selmer, M.
Deposit date:2016-09-08
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-27
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
5V86
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BU of 5v86 by Molmil
Structure of DCN1 bound to NAcM-OPT
Descriptor: Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-03-21
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.374 Å)
Cite:Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
4GOJ
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BU of 4goj by Molmil
The Crystal Structure of full length Arl3GppNHp in complex with UNC119a
Descriptor: ADP-ribosylation factor-like protein 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A.
Deposit date:2012-08-20
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119.
Embo J., 31, 2012
5LPA
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BU of 5lpa by Molmil
AadA E87Q in complex with ATP, calcium and dihydrostreptomycin
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Stern, A.L, Van der Verren, S.E, Selmer, M.
Deposit date:2016-08-12
Release date:2018-01-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
4GOK
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BU of 4gok by Molmil
The Crystal structure of Arl2GppNHp in complex with UNC119a
Descriptor: ADP-ribosylation factor-like protein 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A.
Deposit date:2012-08-20
Release date:2012-09-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119.
Embo J., 31, 2012
5Z6Z
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BU of 5z6z by Molmil
Crystal structure of human DUX4 homeodomains bound to DNA
Descriptor: DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4
Authors:Li, Y.Y, Wu, B.X, Gan, J.H.
Deposit date:2018-01-26
Release date:2018-10-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural basis for multiple gene regulation by human DUX4.
Biochem. Biophys. Res. Commun., 505, 2018

223532

數據於2024-08-07公開中

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