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7B4Z
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Synthetic DNA duplex dodecamer
分子名称: DNA (5'-D(*CP*AP*CP*GP*CP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*CP*GP*GP*CP*GP*TP*G)-3')
著者Lomzov, A.A, Shernuykov, A.V, Sviridov, E.A, Shevelev, G.Y, Bagryanskaya, E.G, Pyshnyi, D.V.
登録日2020-12-03
公開日2020-12-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Study of a DNA Duplex by Nuclear Magnetic Resonance and Molecular Dynamics Simulations. Validation of Pulsed Dipolar Electron Paramagnetic Resonance Distance Measurements Using Triarylmethyl-Based Spin Labels.
J Phys Chem B, 120, 2016
2MIY
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BU of 2miy by Molmil
Solution NMR structure of a preQ1 Class II riboswitch from Streptococcus pneumoniae
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, RNA_(59-MER)
著者Kang, M, Eichhorn, C.D, Feigon, J.
登録日2013-12-20
公開日2014-01-29
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural determinants for ligand capture by a class II preQ1 riboswitch.
Proc.Natl.Acad.Sci.USA, 111, 2014
7AMD
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BU of 7amd by Molmil
In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design
分子名称: Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
著者Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A.
登録日2020-10-08
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
7PFZ
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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267
分子名称: Inhibitor MI-2267, Serine protease NS3, Serine protease subunit NS2B
著者Huber, S, Heine, A, Steinmetzer, T.
登録日2021-08-12
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7E3U
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Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU
分子名称: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, D-hydantoinase/dihydropyrimidinase, ZINC ION
著者Yang, Y.C, Luo, R.H, Huang, Y.H, Huang, C.Y, Lin, E.S.
登録日2021-02-09
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.159 Å)
主引用文献Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Bioinorg Chem Appl, 2022, 2022
7PQ1
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Ligand-free crystal structure of a staphylococcal orthologue of CYP134A1
分子名称: Cytochrome P450 protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Snee, M, Levy, C, Leys, D, Katariya, M, Munro, A.W.
登録日2021-09-15
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with Cyclo-L-leucyl-L-leucine
To Be Published
7KNI
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BU of 7kni by Molmil
Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5
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Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
登録日2020-11-04
公開日2020-12-16
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
2IRM
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BU of 2irm by Molmil
Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae
分子名称: mitogen-activated protein kinase kinase kinase 7 interacting protein 1
著者Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-10-15
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
2MEJ
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BU of 2mej by Molmil
Solution Structure of the Complex Between BCL-xL and the p53 Core Domain determined with PRE restraints
分子名称: Bcl-2-like protein 1, Cellular tumor antigen p53, ZINC ION
著者Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
登録日2013-09-25
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014
7TF1
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BU of 7tf1 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484I spike protein (focused refinement of RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7L0X
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Human Bocavirus 2 (pH 2.6)
分子名称: VP2
著者Luo, M, Mietzsch, M, Agbandje-McKenna, M.
登録日2020-12-13
公開日2021-01-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7STK
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BU of 7stk by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulins bound) asymmetric conformation (Conformation 2)
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-14
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
2MNX
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BU of 2mnx by Molmil
Major groove orientation of the (2S)-N6-(2-hydroxy-3-buten-1-yl)-2'-deoxyadenosine DNA adduct induced by 1,2-epoxy-3-butene
分子名称: 5'-D(*CP*GP*GP*AP*CP*(6HB)P*AP*GP*AP*AP*G)-3', 5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'
著者Kowal, E.A, Kotapati, S, Turo, M, Tretyakova, N, Stone, M.P.
登録日2014-04-16
公開日2014-10-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Major Groove Orientation of the (2S)-N(6)-(2-Hydroxy-3-buten-1-yl)-2'-deoxyadenosine DNA Adduct Induced by 1,2-Epoxy-3-butene.
Chem.Res.Toxicol., 27, 2014
7AGL
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BU of 7agl by Molmil
crystal structure of the apo form of the N-acetylmuramyl-L-alanine amidase, Ami1, from Mycobacterium abscessus.
分子名称: N-acetylmuramoyl-L-alanine amidase, ZINC ION
著者Blaise, M.
登録日2020-09-23
公開日2020-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional Characterization of the N -Acetylmuramyl-l-Alanine Amidase, Ami1, from Mycobacterium abscessus .
Cells, 9, 2020
7STH
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BU of 7sth by Molmil
Full-length insulin receptor bound with unsaturated insulin WT (2 insulin bound) symmetric conformation
分子名称: Insulin, Insulin receptor
著者Bai, X.C, Choi, E.
登録日2021-11-13
公開日2022-03-30
最終更新日2022-04-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Synergistic activation of the insulin receptor via two distinct sites.
Nat.Struct.Mol.Biol., 29, 2022
3A1M
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BU of 3a1m by Molmil
A fusion protein of a beta helix region of gene product 5 and the foldon region of bacteriophage T4
分子名称: POTASSIUM ION, chimera of thrombin cleavage site, Tail-associated lysozyme, ...
著者Yokoi, N, Suzuki, A, Hikage, T, Koshiyama, T, Terauchi, M, Yutani, K, Kanamaru, S, Arisaka, F, Yamane, T, Watanabe, Y, Ueno, T.
登録日2009-04-11
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Construction of Robust Bio-nanotubes using the Controlled Self-Assembly of Component Proteins of Bacteriophage T4
Small, 6, 2010
7POQ
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BU of 7poq by Molmil
Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P41212.
分子名称: 1,2-ETHANEDIOL, BFT-3, CHLORIDE ION, ...
著者Eckhard, U, Guevara, T, Gomis-Ruth, F.X.
登録日2021-09-09
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis.
Protein Sci., 31, 2022
7T6U
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BU of 7t6u by Molmil
Structure of the human FPR2-Gi complex with CGEN-855A
分子名称: B9-scFv, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Zhuang, Y.W.
登録日2021-12-14
公開日2022-03-30
最終更新日2022-10-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2.
Nat Commun, 13, 2022
5KNB
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BU of 5knb by Molmil
Crystal structure of the 2 ADP-bound V1 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T.
登録日2016-06-28
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.251 Å)
主引用文献Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
7TF5
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Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein
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, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
登録日2022-01-06
公開日2022-03-30
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7AID
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BU of 7aid by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR
分子名称: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-26
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7T7T
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BU of 7t7t by Molmil
Structure of TSK/BRU1 bound to histone H3.1
分子名称: Histone H3.1, Protein TONSOKU
著者Davarinejad, H, Couture, J.F.
登録日2021-12-15
公開日2022-03-30
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献The histone H3.1 variant regulates TONSOKU-mediated DNA repair during replication.
Science, 375, 2022
3ICE
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BU of 3ice by Molmil
Rho transcription termination factor bound to RNA and ADP-BeF3
分子名称: 5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3', ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Thomsen, N.D, Berger, J.M.
登録日2009-07-17
公開日2009-11-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Running in reverse: the structural basis for translocation polarity in hexameric helicases.
Cell(Cambridge,Mass.), 139, 2009
7L0Y
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Human Bocavirus 1 (pH 2.6)
分子名称: VP2
著者Luo, M, Mietzsch, M, Agbandje-McKenna, M.
登録日2020-12-13
公開日2021-01-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
7E4X
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Structure of Enolase from Mycobacterium tuberculosis
分子名称: Enolase
著者Bose, S, Vinothkumar, K.R.
登録日2021-02-15
公開日2022-02-16
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023

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