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4U5T
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Crystal Structure of VBP Leucine Zipper with Bound Arylstibonic Acid
分子名称: (2Z)-3-{3-[dihydroxy(oxido)-lambda~5~-stibanyl]phenyl}prop-2-enoic acid, VBP leucine zipper
著者Stagno, J.R, Ji, X.
登録日2014-07-25
公開日2014-08-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献P6981, an arylstibonic acid, is a novel low nanomolar inhibitor of cAMP response element-binding protein binding to DNA.
Mol.Pharmacol., 82, 2012
6EBU
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BU of 6ebu by Molmil
Crystal structure of Aquifex aeolicus LpxE
分子名称: LpxE, SULFATE ION, octyl beta-D-glucopyranoside
著者Wu, Q, Wang, S, Zhou, P.
登録日2018-08-07
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.372 Å)
主引用文献The Lipid A 1-Phosphatase, LpxE, Functionally Connects Multiple Layers of Bacterial Envelope Biogenesis.
Mbio, 10, 2019
6GMI
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BU of 6gmi by Molmil
Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in E. coli's Periplasm.
分子名称: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
著者Rebelein, J.G.
登録日2018-05-26
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Genetic Engineering of an Artificial Metalloenzyme for Transfer Hydrogenation of a Self-Immolative Substrate in Escherichia coli's Periplasm.
J. Am. Chem. Soc., 140, 2018
6TYY
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BU of 6tyy by Molmil
Hedgehog autoprocessing mutant D46H
分子名称: Protein hedgehog
著者Li, H, Li, Z, Wang, C, Callahan, B.P.
登録日2019-08-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献General Base Swap Preserves Activity and Expands Substrate Tolerance in Hedgehog Autoprocessing.
J.Am.Chem.Soc., 141, 2019
8E4A
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BU of 8e4a by Molmil
Pseudomonas LpxC in complex with LPC-233
分子名称: 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Najeeb, J, Zhou, P.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.034 Å)
主引用文献Preclinical safety and efficacy characterization of an LpxC inhibitor against Gram-negative pathogens.
Sci Transl Med, 15, 2023
5UFK
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BU of 5ufk by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-04
公開日2017-05-10
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
5UF5
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BU of 5uf5 by Molmil
Structure of the effector protein SidK (lpg0968) from Legionella pneumophila (domain-swapped dimer)
分子名称: GLYCEROL, effector protein SidK
著者Beyrakhova, K, Xu, C, Boniecki, M.T, Cygler, M.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
3RDH
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BU of 3rdh by Molmil
X-ray induced covalent inhibition of 14-3-3
分子名称: 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION
著者Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X.
登録日2011-04-01
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
8JYS
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BU of 8jys by Molmil
SARS-CoV-2 Spike RBD (dimer) in complex with two 2S-1244 nanobodies
分子名称: IBT-CoV144 nanobody, Spike protein S1
著者Yang, Y, Zhang, C.H.
登録日2023-07-03
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献A novel nanobody broadly neutralizes SARS-CoV-2 via induction of spike trimer dimers conformation
Exploration, 2023
3CDE
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BU of 3cde by Molmil
Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor
分子名称: N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase
著者Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R.
登録日2008-02-26
公開日2009-03-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments.
Bioorg.Med.Chem.Lett., 18, 2008
8C3W
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BU of 8c3w by Molmil
Crystal structure of a computationally designed heme binding protein, dnHEM1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
著者Ortmayer, M, Levy, C.
登録日2022-12-29
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site.
J.Am.Chem.Soc., 145, 2023
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
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, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
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, Angiotensin-converting enzyme 2, ...
著者Wei, X, Zhang, Z.
登録日2023-09-22
公開日2024-02-28
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WFJ
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BU of 8wfj by Molmil
human glycine transporter 1 in complex with ALX-5407 in inward facing conformation
分子名称: ALX5407, Sodium- and chloride-dependent glycine transporter 1
著者Wei, Y, Zhao, Y.
登録日2023-09-19
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Transport mechanism and pharmacology of the human GlyT1.
Cell, 187, 2024
8WFK
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BU of 8wfk by Molmil
human glycine transporter 1 in complex with SSR504734 in outward facing conformation
分子名称: CHLORIDE ION, SODIUM ION, SSR504734, ...
著者Wei, Y, Zhao, Y.
登録日2023-09-19
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Transport mechanism and pharmacology of the human GlyT1.
Cell, 187, 2024
8WFL
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BU of 8wfl by Molmil
human glycine transporter 1 in complex with PF-03463275 in outward facing conformation
分子名称: PF-3463275, Sodium- and chloride-dependent glycine transporter 1
著者Wei, Y, Zhao, Y.
登録日2023-09-19
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Transport mechanism and pharmacology of the human GlyT1.
Cell, 187, 2024
8WFI
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BU of 8wfi by Molmil
human glycine transporter 1 in complex with glycine in occluded conformation
分子名称: CHLORIDE ION, GLYCINE, Isoform GlyT-1B of Sodium- and chloride-dependent glycine transporter 1, ...
著者Wei, Y, Zhao, Y.
登録日2023-09-19
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Transport mechanism and pharmacology of the human GlyT1.
Cell, 187, 2024
8H92
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BU of 8h92 by Molmil
Ziziphus jujuba adenylyl cyclase
分子名称: MAGNESIUM ION, SULFATE ION, triphosphate tunel metalloenzyme 3-like
著者Liu, Z.G, Wang, L.L, Yuan, Y, Liu, M.J.
登録日2022-10-24
公開日2024-01-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A super plant adenylyl cyclase-ZjAC
To Be Published
6LPF
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BU of 6lpf by Molmil
The crystal structure of human cytoplasmic LRS
分子名称: 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE, 5'-O-(L-leucylsulfamoyl)adenosine, GLYCEROL, ...
著者Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
登録日2020-01-10
公開日2020-03-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
8WW2
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BU of 8ww2 by Molmil
GPR3/Gs complex
分子名称: CHOLESTEROL HEMISUCCINATE, G-protein coupled receptor 3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者He, Y, Xiong, Y.
登録日2023-10-24
公開日2024-02-14
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Identification of oleic acid as an endogenous ligand of GPR3.
Cell Res., 34, 2024
8W9W
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BU of 8w9w by Molmil
The cryo-EM structure of human sphingomyelin synthase-related protein in complex with ceramide/phosphoethanolamine
分子名称: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Sphingomyelin synthase-related protein 1, ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide
著者Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
登録日2023-09-06
公開日2024-02-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 2024
8W9Y
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The cryo-EM structure of human sphingomyelin synthase-related protein
分子名称: Sphingomyelin synthase-related protein 1
著者Hu, K, Zhang, Q, Chen, Y, Yao, D, Zhou, L, Cao, Y.
登録日2023-09-06
公開日2024-02-28
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of human sphingomyelin synthase and its mechanistic implications for sphingomyelin synthesis.
Nat.Struct.Mol.Biol., 2024
8ZC4
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BU of 8zc4 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC0
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BU of 8zc0 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
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, Heavy chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (4.17 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC6
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SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
著者Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
登録日2024-04-28
公開日2024-05-29
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (6.85 Å)
主引用文献An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024

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