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8DWA
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BU of 8dwa by Molmil
Crystal structure of neutralizing antibody P1D9 Fab in complex with SARS-CoV-2 spike receptor binding domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, P1D9 Heavy chain, P1D9 Light chain, ...
著者Reddem, E.R, Shapiro, L.
登録日2022-08-01
公開日2022-12-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
分子名称: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
分子名称: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
分子名称: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
登録日2022-02-25
公開日2022-12-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
8HOA
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BU of 8hoa by Molmil
ScRIPK mutant K124R
分子名称: (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ...
著者Fang, J.L, Zhang, M.Q, Ming, Z.H.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.676 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HO6
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BU of 8ho6 by Molmil
ScRIPK WT
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein
著者Fang, J.L, Zhang, M.Q.
登録日2022-12-09
公開日2023-10-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HOD
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BU of 8hod by Molmil
ScRIPK MUTANT-S253A, T254A
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein
著者Fang, J.L, Zhang, M.Q.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
6ORE
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BU of 6ore by Molmil
Release complex 70S
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Fu, Z.
登録日2019-04-30
公開日2019-06-19
最終更新日2025-03-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
3BEN
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BU of 3ben by Molmil
Structure of N-(12-imidazolyl-dodecanoyl)-L-leucine inhibitor bound to the heme domain of Cytochrome P450-BM3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 102, MAGNESIUM ION, ...
著者Tomchick, D.R.
登録日2007-11-19
公開日2008-09-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of inhibitor-bound P450BM-3 reveals open conformation of substrate access channel.
Biochemistry, 47, 2008
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
分子名称: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
著者Lee, C.C, Spraggon, G.
登録日2015-04-02
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7TXW
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BU of 7txw by Molmil
Crystal structure of the complex of the malaria sexual stage protein and vaccine target Pfs25 with the Fab fragment of a transmission blocking antibody 1G2
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
著者Singh, K, Gittis, A.G, Garboczi, D.N.
登録日2022-02-10
公開日2023-04-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural and immunological differences in Plasmodium falciparum sexual stage transmission-blocking vaccines comprised of Pfs25-EPA nanoparticles.
Npj Vaccines, 8, 2023
7UNN
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BU of 7unn by Molmil
Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin domain-containing protein
著者Osipiuk, J, Reardon-Robinson, M, Nguyen, M.T, Sanchez, B, Ton-That, H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2022-04-11
公開日2022-04-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A cryptic oxidoreductase safeguards oxidative protein folding in Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 120, 2023
5VFD
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BU of 5vfd by Molmil
Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
分子名称: (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ...
著者Olivier, N.B, Lahiri, S.
登録日2017-04-07
公開日2017-06-07
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
9BUY
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BU of 9buy by Molmil
Structure of the LM189-Bound beta2AR-Gi Complex
分子名称: 4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]benzene-1,2-diol, Beta-2 adrenergic receptor, CHOLESTEROL, ...
著者Casiraghi, M, Wang, H, Kobilka, B.K.
登録日2024-05-17
公開日2025-05-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure and dynamics determine G protein coupling specificity at a class A GPCR.
Sci Adv, 11, 2025
5FEQ
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BU of 5feq by Molmil
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
分子名称: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-17
公開日2016-07-27
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5FED
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BU of 5fed by Molmil
EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
7SUS
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BU of 7sus by Molmil
Crystal structure of Apelin receptor in complex with small molecule
分子名称: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ...
著者Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M.
登録日2021-11-18
公開日2022-07-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
5TOU
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BU of 5tou by Molmil
STRUCTURE OF C-PHYCOCYANIN FROM ARCTIC PSEUDANABAENA SP. LW0831
分子名称: PHYCOCYANOBILIN, Phycocyanin alpha-1 subunit, Phycocyanin beta-1 subunit
著者Wang, Q.M, Li, C.Y, Su, H.N, Zhang, Y.Z, Xie, B.B.
登録日2016-10-18
公開日2017-03-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural insights into the cold adaptation of the photosynthetic pigment-protein C-phycocyanin from an Arctic cyanobacterium
Biochim. Biophys. Acta, 1858, 2017
6OQ5
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BU of 6oq5 by Molmil
Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs
分子名称: 5D, 7F, E3, ...
著者Chen, P, Lam, K, Jin, R.
登録日2019-04-25
公開日2019-07-10
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.87 Å)
主引用文献Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
4NAH
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BU of 4nah by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
分子名称: 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
分子名称: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAU
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BU of 4nau by Molmil
S. aureus CoaD with Inhibitor
分子名称: 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
著者Lahiri, S.D.
登録日2013-10-22
公開日2014-03-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
9BUM
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BU of 9bum by Molmil
Structure of gamma-glutamyl carboxylase (GGCX)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Vitamin K-dependent gamma-carboxylase
著者Wang, R, Qi, X.
登録日2024-05-17
公開日2025-01-29
最終更新日2025-03-26
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structure and mechanism of vitamin-K-dependent gamma-glutamyl carboxylase.
Nature, 639, 2025

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件を2025-07-09に公開中

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