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PDB: 499 件

7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVG
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BU of 7bvg by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with di-arabinose.
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7BVF
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BU of 7bvf by Molmil
Cryo-EM structure of Mycobacterium tuberculosis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: CALCIUM ION, CARDIOLIPIN, Ethambutol, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
7VTY
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BU of 7vty by Molmil
de novo designed protein
分子名称: de novo designed protein
著者Zhang, L.
登録日2021-10-31
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VQV
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BU of 7vqv by Molmil
de novo design based on 1r26
分子名称: GLYCEROL, de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VU4
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BU of 7vu4 by Molmil
de novo design based on 1r26
分子名称: de novo design protein
著者Zhang, L.
登録日2021-11-01
公開日2022-06-08
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VQL
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BU of 7vql by Molmil
de novo designed based on 1r26
分子名称: AMMONIUM ION, GLYCEROL, de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7VQW
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BU of 7vqw by Molmil
de novo designed protein based on 1r26
分子名称: de novo designed protein
著者Zhang, L.
登録日2021-10-20
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Rotamer-free protein sequence design based on deep learning and self-consistency.
Nat Comput Sci, 2023
7FAE
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BU of 7fae by Molmil
S protein of SARS-CoV-2 in complex bound with P36-5D2(state2)
分子名称: 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, ...
著者Zhang, L, Wang, X, Shan, S, Zhang, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.65 Å)
主引用文献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)
分子名称: P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein
著者Zhang, L, Wang, X, Zhang, S, Shan, S.
登録日2021-07-06
公開日2021-12-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants.
Front Immunol, 12, 2021
3UO7
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BU of 3uo7 by Molmil
Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate 5-carboxylcytosine
分子名称: 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
著者Zhang, L, He, C.
登録日2011-11-16
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献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
分子名称: 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
著者Zhang, L, He, C.
登録日2011-11-16
公開日2012-02-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.011 Å)
主引用文献Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
8JU8
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BU of 8ju8 by Molmil
de novo designed protein
分子名称: de novo designed protein
著者Zhang, L.
登録日2023-06-25
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献de novo designed Rossmann fold protein
To Be Published
7EQG
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BU of 7eqg by Molmil
Structure of Csy-AcrIF5
分子名称: AcrIF5, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-05-01
公開日2022-03-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献AcrIF5 specifically targets DNA-bound CRISPR-Cas surveillance complex for inhibition.
Nat.Chem.Biol., 18, 2022
8ZAV
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BU of 8zav by Molmil
alcohol dehydrogenases KpADH mutant - S9Y/F161K
分子名称: 1,2-ETHANEDIOL, NAD-dependent epimerase/dehydratase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, L, Ni, Y, Xu, G.C.
登録日2024-04-25
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Engineering alcohol dehydrogenases KpADH for enhanced organic-solvent tolerance and its molecular mechanisms
To Be Published
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
分子名称: BORIC ACID, D-MALATE, Fluostatin C, ...
著者Zhang, L, De, B.C.
登録日2020-07-22
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001016 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
7WE6
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BU of 7we6 by Molmil
Structure of Csy-AcrIF24-dsDNA
分子名称: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-12-22
公開日2022-04-20
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7ELM
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BU of 7elm by Molmil
Structure of Csy-AcrIF24
分子名称: AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ...
著者Zhang, L, Feng, Y.
登録日2021-04-12
公開日2022-04-20
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7ELN
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BU of 7eln by Molmil
Structure of Csy-AcrIF24-dsDNA
分子名称: 54-MER DNA, AcrIF24, CRISPR type I-F/YPEST-associated protein Csy2, ...
著者Zhang, L, Feng, Y.
登録日2021-04-12
公開日2022-04-20
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
7WOL
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BU of 7wol by Molmil
Crystal structure of lipase TrLipB from Thermomocrobium roseum
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Zhang, L, Fang, Y, Shi, Y, Gu, Z, Xin, Y.
登録日2022-01-21
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of lipase TrLipB from Thermomocrobium roseum
To Be Published
7YDX
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BU of 7ydx by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound RI-962
分子名称: 1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-phenylethyl]indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Wu, C, Luo, X, Wang, T, Lei, J, Yang, S.
登録日2022-07-04
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.642 Å)
主引用文献Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor.
Nat Commun, 13, 2022
7XMK
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BU of 7xmk by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923
分子名称: 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Yang, S.
登録日2022-04-26
公開日2023-04-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.376 Å)
主引用文献From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
7C5G
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BU of 7c5g by Molmil
Crystal Structure of C150S mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with PO4 at 1.98 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Zhang, L, Liu, M.R, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
登録日2020-05-20
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5N
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BU of 7c5n by Molmil
Crystal Structure of C150A+H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli at 2.0 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ...
著者Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
登録日2020-05-20
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
7C5H
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BU of 7c5h by Molmil
Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase1 from Escherichia coli at 2.09 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N.
登録日2020-05-20
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021

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