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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
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
5UKG
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BU of 5ukg by Molmil
Crystal Structure of the genetically encoded calcium indicator K-GECO
分子名称: CALCIUM ION, K-GECO
著者Schreiter, E.R.
登録日2017-01-22
公開日2018-02-07
最終更新日2019-02-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A genetically encoded Ca2+indicator based on circularly permutated sea anemone red fluorescent protein eqFP578.
BMC Biol., 16, 2018
6SNJ
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BU of 6snj by Molmil
Solution structure of the FUS/TLS RNA recognition motif in complex with U1 snRNA stem loop III
分子名称: RNA-binding protein FUS, U1 snRNA stem loop III, RNA (28-MER)
著者Campagne, S, Allain, F.H.
登録日2019-08-26
公開日2020-10-28
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Aberrant interaction of FUS with the U1 snRNA provides a molecular mechanism of FUS induced amyotrophic lateral sclerosis.
Nat Commun, 11, 2020
6A85
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BU of 6a85 by Molmil
Crystal structure of a novel DNA quadruplex
分子名称: AMMONIUM ION, DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*GP*GP*GP*TP*GP*CP*GP*TP*T)-3'), LEAD (II) ION, ...
著者Liu, H.H, Gan, J.H.
登録日2018-07-06
公開日2019-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High-resolution DNA quadruplex structure containing all the A-, G-, C-, T-tetrads.
Nucleic Acids Res., 46, 2018
8J5P
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BU of 8j5p by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 2,000lux
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
著者Xu, X, Xin, J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
8J5O
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BU of 8j5o by Molmil
Cryo-EM structure of native RC-LH complex from Roseiflexus castenholzii at 100lux
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,1 4,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, ...
著者Xu, X, Xin, J.
登録日2023-04-24
公開日2023-09-20
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Carotenoid assembly regulates quinone diffusion and the Roseiflexus castenholzii reaction center-light harvesting complex architecture.
Elife, 12, 2023
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
著者Wang, X, Wang, Z.
登録日2022-02-25
公開日2023-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
分子名称: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
著者Wang, X, Wang, Z.
登録日2022-03-26
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8JLW
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BU of 8jlw by Molmil
CCHFV envelope protein Gc in complex with Gc8
分子名称: Glycoprotein C,CCHFV envelope protein Gc fusion loops, Mouse antibody Gc8 heavy chain, Mouse antibody Gc8 light chain
著者Chong, T, Cao, S.
登録日2023-06-03
公開日2024-01-24
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024
8JKD
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BU of 8jkd by Molmil
Cryo-EM structure of CCHFV envelope protein Gc trimer in complex with Gc13 Fab
分子名称: Glycoprotein C
著者Chong, T, Cao, S.
登録日2023-06-01
公開日2024-01-24
最終更新日2024-02-28
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Neutralizing monoclonal antibodies against the Gc fusion loop region of Crimean-Congo hemorrhagic fever virus.
Plos Pathog., 20, 2024
6YMW
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BU of 6ymw by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex
分子名称: Chains: N, Chains: T, DNA-directed RNA polymerase, ...
著者Das, K, Patel, S.S.
登録日2020-04-10
公開日2020-12-09
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
7YZY
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BU of 7yzy by Molmil
pMMO structure from native membranes by cryoET and STA
分子名称: Methane monooxygenase subunit C2, Particulate methane monooxygenase alpha subunit, Particulate methane monooxygenase beta subunit
著者Zhu, Y, Ni, T, Zhang, P.
登録日2022-02-21
公開日2022-08-10
最終更新日2023-02-22
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure and activity of particulate methane monooxygenase arrays in methanotrophs.
Nat Commun, 13, 2022
6MYQ
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BU of 6myq by Molmil
Avian mitochondrial complex II with ferulenol bound
分子名称: (~{Z})-2-oxidanylbut-2-enedioic acid, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYP
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BU of 6myp by Molmil
Avian mitochondrial complex II with TTFA (thenoyltrifluoroacetone) bound
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE, BICARBONATE ION, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYT
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BU of 6myt by Molmil
Avian mitochondrial complex II with Atpenin A5 bound, sidechain in pocket
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, DI(HYDROXYETHYL)ETHER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
7TTI
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BU of 7tti by Molmil
Human KCC1 bound with VU0463271 In an outward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4
著者Zhao, Y.X, Cao, E.H.
登録日2022-02-01
公開日2022-06-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TTH
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BU of 7tth by Molmil
Human potassium-chloride cotransporter 1 in inward-open state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4
著者Zhao, Y.X, Cao, E.H.
登録日2022-02-01
公開日2022-06-29
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.25 Å)
主引用文献Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
6MYU
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BU of 6myu by Molmil
Avian mitochondrial complex II crystallized in the presence of HQNO
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
6MYO
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BU of 6myo by Molmil
Avian mitochondrial complex II with flutolanyl bound
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, DI(HYDROXYETHYL)ETHER, FE2/S2 (INORGANIC) CLUSTER, ...
著者Berry, E.A, Huang, L.-S.
登録日2018-11-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
8BRE
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BU of 8bre by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK)
分子名称: Anhydro-N-acetylmuramic acid kinase, CHLORIDE ION
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2022-11-23
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023
8C0F
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BU of 8c0f by Molmil
Tubulin-PTC596 complex
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ...
著者Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O.
登録日2022-12-16
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1005 Å)
主引用文献Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
8CPB
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BU of 8cpb by Molmil
1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution.
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ...
著者Jimenez-Faraco, E, Hermoso, J.A.
登録日2023-03-02
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa.
J.Biol.Chem., 299, 2023

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