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PDB: 234 results

4TQJ
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BU of 4tqj by Molmil
Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection
Descriptor: Lectin 2
Authors:Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C.
Deposit date:2014-06-11
Release date:2015-06-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin.
Plos One, 10, 2015
6LI6
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BU of 6li6 by Molmil
Crystal structure of MCR-1-S treated by Au(PEt3)Cl
Descriptor: GOLD ION, Probable phosphatidylethanolamine transferase Mcr-1, TRIETHYLPHOSPHANE
Authors:Zhang, Q, Wang, M, Sun, H.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
6LHE
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BU of 6lhe by Molmil
Crystal Structure of Gold-bound NDM-1
Descriptor: GOLD ION, Metallo-beta-lactamase type 2, SULFATE ION
Authors:Wang, H, Sun, H, Wang, M.
Deposit date:2019-12-07
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.206 Å)
Cite:Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin.
Nat Commun, 11, 2020
2W3X
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BU of 2w3x by Molmil
Crystal structure of a bifunctional hotdog fold thioesterase in enediyne biosynthesis, CalE7
Descriptor: CALE7, GLYCEROL, O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), ...
Authors:Kotaka, M, Kong, R, Qureshi, I, Ho, Q.S, Sun, H, Liew, C.W, Goh, L.P, Cheung, P, Mu, Y, Lescar, J, Liang, Z.X.
Deposit date:2008-11-17
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Catalytic Mechanism of the Thioesterase Cale7 in Enediyne Biosynthesis.
J.Biol.Chem., 284, 2009
3QYT
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BU of 3qyt by Molmil
Diferric bound human serum transferrin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Yang, N, Zhang, H, Wang, M, Hao, Q, Sun, H.
Deposit date:2011-03-03
Release date:2012-03-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Iron and bismuth bound human serum transferrin reveals a partially-opened conformation in the N-lobe
Sci Rep, 2, 2012
9IUL
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BU of 9iul by Molmil
The structure of Candida albicans Cdr1 in fluconazole-bound state
Descriptor: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-23
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUK
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BU of 9iuk by Molmil
The structure of Candida albicans Cdr1 in apo state
Descriptor: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-22
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
9IUM
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BU of 9ium by Molmil
The structure of Candida albicans Cdr1 in milbemycin oxime-inhibited state
Descriptor: Pip2(20:4/18:0), Pleiotropic ABC efflux transporter of multiple drugs CDR1, milbemycin oxime
Authors:Peng, Y, Sun, H, Yan, Z.F.
Deposit date:2024-07-22
Release date:2024-09-18
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Cryo-EM structures of Candida albicans Cdr1 reveal azole-substrate recognition and inhibitor blocking mechanisms.
Nat Commun, 15, 2024
1QHI
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BU of 1qhi by Molmil
HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
Descriptor: 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION
Authors:Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R.
Deposit date:1999-05-12
Release date:1999-07-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
6KV9
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BU of 6kv9 by Molmil
MoeE5 in complex with UDP-glucuronic acid and NAD
Descriptor: MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Authors:Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T.
Deposit date:2019-09-03
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Biochem.Biophys.Res.Commun., 521, 2020
8HF8
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BU of 8hf8 by Molmil
Human PPAR delta ligand binding domain in complex with a synthetic agonist V1
Descriptor: 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
Authors:Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q.
Deposit date:2022-11-09
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
6KVC
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BU of 6kvc by Molmil
MoeE5 in complex with UDP-glucose and NAD
Descriptor: MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T.
Deposit date:2019-09-04
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Biochem.Biophys.Res.Commun., 521, 2020
6LRJ
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BU of 6lrj by Molmil
Human cGAS catalytic domain bound with compound 23
Descriptor: 4-[2-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazinyl]-4-oxidanylidene-butanoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRL
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BU of 6lrl by Molmil
Human cGAS catalytic domain bound with compound s2
Descriptor: 3-[[5-(1,2,4-triazol-4-yl)-4H-1,2,4-triazol-3-yl]carbonylamino]benzoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LRK
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BU of 6lrk by Molmil
Human cGAS catalytic domain bound with compound 40
Descriptor: (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LS9
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BU of 6ls9 by Molmil
Crystal structure of bovine herpesvirus 1 glycoprotein D
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D
Authors:Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
Deposit date:2020-01-17
Release date:2020-06-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
Authors:Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
Deposit date:2020-02-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
6LRI
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BU of 6lri by Molmil
Human cGAS catalytic domain bound with compound 17
Descriptor: 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
6LSA
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BU of 6lsa by Molmil
Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D, ...
Authors:Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
Deposit date:2020-01-17
Release date:2020-06-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
6LRE
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BU of 6lre by Molmil
Human cGAS catalytic domain bound with compound 3
Descriptor: 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION
Authors:Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
Deposit date:2020-01-16
Release date:2020-06-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
4FZX
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BU of 4fzx by Molmil
Exonuclease X in complex with 3' overhanging duplex DNA
Descriptor: DNA (5'-D(P*CP*GP*GP*AP*TP*CP*CP*AP*CP*AP*AP*TP*GP*AP*CP*CP*T)-3'), DNA (5'-D(P*GP*TP*CP*AP*TP*TP*GP*TP*GP*GP*AP*TP*CP*CP*GP*AP*G)-3'), Exodeoxyribonuclease 10, ...
Authors:Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
Deposit date:2012-07-08
Release date:2013-07-03
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
4FZY
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BU of 4fzy by Molmil
Exonuclease X in complex with 12bp blunt-ended dsDNA
Descriptor: DNA (5'-D(*TP*GP*TP*AP*GP*AP*TP*TP*CP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*GP*AP*AP*TP*CP*TP*AP*CP*A)-3'), Exodeoxyribonuclease 10, ...
Authors:Wang, T, Sun, H, Cheng, F, Bi, L, Jiang, T.
Deposit date:2012-07-08
Release date:2013-07-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Recognition and processing of double-stranded DNA by ExoX, a distributive 3'-5' exonuclease
Nucleic Acids Res., 41, 2013
8GTD
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BU of 8gtd by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C portal-adaptor complex
Descriptor: Head-to-tail joining protein, Portal protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTB
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BU of 8gtb by Molmil
Cryo-EM structure of the marine siphophage vB_DshS-R4C tail tube protein
Descriptor: Major tail protein
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023
8GTC
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BU of 8gtc by Molmil
Cryo-EM model of the marine siphophage vB_DshS-R4C baseplate-tail complex
Descriptor: Distal tail protein, Hub protein, Major tail protein, ...
Authors:Huang, Y, Sun, H, Wei, S, Zheng, Q, Li, S, Zhang, R, Xia, N.
Deposit date:2022-09-08
Release date:2023-07-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure and proposed DNA delivery mechanism of a marine roseophage.
Nat Commun, 14, 2023

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數據於2024-11-06公開中

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