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PDB: 601 results

3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
8JU8
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BU of 8ju8 by Molmil
de novo designed protein
Descriptor: de novo designed protein
Authors:Zhang, L.
Deposit date:2023-06-25
Release date:2023-07-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:de novo designed Rossmann fold protein
To Be Published
3UO7
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BU of 3uo7 by Molmil
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate 5-carboxylcytosine
Descriptor: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*AP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(1CC)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase
Authors:Zhang, L, He, C.
Deposit date:2011-11-16
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
3UOB
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BU of 3uob by Molmil
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate Analog 2'-deoxy-2'-beta-fluoro-cytidine
Descriptor: 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*GP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(1FC)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase
Authors:Zhang, L, He, C.
Deposit date:2011-11-16
Release date:2012-02-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
5H0O
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BU of 5h0o by Molmil
Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with manganese ion
Descriptor: HNH endonuclease, MANGANESE (II) ION
Authors:Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y.
Deposit date:2016-10-06
Release date:2017-03-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease.
Sci Rep, 7, 2017
5H0M
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BU of 5h0m by Molmil
Crystal structure of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease with zinc ion
Descriptor: HNH endonuclease, ZINC ION
Authors:Zhang, L.K, Xu, D.D, Huang, Y.C, Gong, Y.
Deposit date:2016-10-05
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural and functional characterization of deep-sea thermophilic bacteriophage GVE2 HNH endonuclease
Sci Rep, 7, 2017
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
3QAU
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BU of 3qau by Molmil
3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, GLYCEROL, SODIUM ION, ...
Authors:Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
Deposit date:2011-01-11
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Hydroxy-3-MethylGlutaryl-Coenzyme A Reductase from Streptococcus pneumoniae
To be Published
3QAE
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BU of 3qae by Molmil
3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
Descriptor: 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ...
Authors:Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J.
Deposit date:2011-01-10
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae
To be Published
3HIB
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BU of 3hib by Molmil
Crystal structure of the second Sec63 domain of yeast Brr2
Descriptor: Pre-mRNA-splicing helicase BRR2
Authors:Zhang, L, Xu, T, Zhao, R.
Deposit date:2009-05-19
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for consecutive Hel308-like modules in the spliceosomal ATPase Brr2.
Nat.Struct.Mol.Biol., 16, 2009
4JEK
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BU of 4jek by Molmil
Structure of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Descriptor: Dibenzothiophene desulfurization enzyme C
Authors:Zhang, L, Duan, X.L, Zhou, D.M, Li, X.
Deposit date:2013-02-27
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallization and preliminary structural analysis of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Acta Crystallogr.,Sect.F, 69, 2013
6JV3
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BU of 6jv3 by Molmil
Crystal structure of 5-hydoxylmethylcytosine containing decamer dsDNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*(5HC)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L, Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6JV5
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BU of 6jv5 by Molmil
Crystal structure of 5-methylcytosine containing decamer dsDNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L, Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
6KXH
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BU of 6kxh by Molmil
Alp1U_Y247F mutant in complex with Fluostatin C
Descriptor: D-MALATE, Fluostatin C, Putative hydrolase, ...
Authors:Zhang, L, Yingli, Z, De, B.C, Zhang, C.
Deposit date:2019-09-11
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.78039551 Å)
Cite:Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
7VQ9
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BU of 7vq9 by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl thiopyrophosphate and isopentyl S-thiolodiphosphate
Descriptor: 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
8HPC
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BU of 8hpc by Molmil
Crystal structure of C171A Mutant of N-carbamyl-D-amino acid amidohydrolase complexed with N-carbamyl-D-Hydroxyphenylglycine
Descriptor: (2~{R})-2-(aminocarbonylamino)-2-(4-hydroxyphenyl)ethanoic acid, N-carbamoyl-D-amino acid hydrolase
Authors:Zhang, L.D, Song, W.
Deposit date:2022-12-12
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Production of D-p-hydroxyphenylglycine by double-enzyme cascade
To Be Published
7VQB
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BU of 7vqb by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and dimethylallyl diphosphate
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQA
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BU of 7vqa by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with dimethylallyl diphosphate.
Descriptor: DIMETHYLALLYL DIPHOSPHATE, Di-trans-poly-cis-decaprenylcistransferase, MAGNESIUM ION, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
6LKQ
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BU of 6lkq by Molmil
The Structural Basis for Inhibition of Ribosomal Translocation by Viomycin
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhang, L, Wang, Y.H, Lancaster, L, Zhou, J, Noller, H.F.
Deposit date:2019-12-20
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The structural basis for inhibition of ribosomal translocation by viomycin.
Proc.Natl.Acad.Sci.USA, 117, 2020
7FAE
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BU of 7fae by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2(state2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P36-5D2 heavy chain, ...
Authors:Zhang, L, Wang, X, Shan, S, Zhang, S.
Deposit date:2021-07-06
Release date:2021-12-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
7FAF
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BU of 7faf by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1)
Descriptor: P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein
Authors:Zhang, L, Wang, X, Zhang, S, Shan, S.
Deposit date:2021-07-06
Release date:2021-12-22
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
5ZB9
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BU of 5zb9 by Molmil
Crystal structure of Rtt109 from Aspergillus fumigatus
Descriptor: DNA damage response protein Rtt109, putative, GLYCEROL
Authors:Zhang, L, Serra-Cardona, A, Zhou, H, Wang, M, Yang, N, Zhang, Z, Xu, R.M.
Deposit date:2018-02-10
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Multisite Substrate Recognition in Asf1-Dependent Acetylation of Histone H3 K56 by Rtt109.
Cell, 174, 2018
2H1Y
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BU of 2h1y by Molmil
Crystal structure of malonyl-CoA:Acyl carrier protein transacylase (MCAT) from Helicobacter pylori
Descriptor: Malonyl coenzyme A-acyl carrier protein transacylase
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-05-17
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Malonyl-CoA: acyl carrier protein transacylase from Helicobacter pylori: Crystal structure and its interaction with acyl carrier protein
Protein Sci., 16, 2007
7VQD
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BU of 7vqd by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate.
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQC
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BU of 7vqc by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022

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