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7C7F
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Crystal structures of AKR1C3 binary complex with NADP+
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
著者Irie, K, Toyooka, N, Endo, S.
登録日2020-05-25
公開日2020-09-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Novel AKR1C3 Inhibitors as New Potential Treatment for Castration-Resistant Prostate Cancer.
J.Med.Chem., 63, 2020
4UH9
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BU of 4uh9 by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ...
著者Li, H, Poulos, T.L.
登録日2015-03-23
公開日2015-07-15
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献2-Aminopyridines with a Truncated Side Chain to Improve Human Neuronal Nitric Oxide Synthase Inhibitory Potency and Selectivity.
J.Med.Chem., 58, 2015
5KUR
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BU of 5kur by Molmil
Human cyclophilin A at 100K, Data set 5
分子名称: Peptidyl-prolyl cis-trans isomerase A
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-13
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
4UFK
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BU of 4ufk by Molmil
Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
8SIP
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BU of 8sip by Molmil
Structure of a mouse IgG antibody fragment that binds Inosine, an RNA modification
分子名称: INOSINE, Inosine binding IgG Fab, heavy chain, ...
著者Aoki, S.T.
登録日2023-04-16
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of a mouse IgG antibody fragment that binds Inosine, an RNA modification
To Be Published
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
分子名称: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
著者Li, T, Cai, H, Yao, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7CC4
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BU of 7cc4 by Molmil
A biodegradable plastic-degrading cutinase-like enzyme from the phyllosphere yeast Pseudozyma antarctica
分子名称: Cutinase-like enzyme, SODIUM ION
著者Suzuki, K, Watanabe, T, Kitamoto, H.
登録日2020-06-16
公開日2020-07-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A biodegradable plastic-degrading cutinase-like enzyme from the phyllosphere yeast Pseudozyma antarctica
To Be Published
4UGY
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BU of 4ugy by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Poulos, T.L.
登録日2015-03-22
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
8SUD
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BU of 8sud by Molmil
JC Polyomavirus LTA NLS bound to importin alpha 2
分子名称: Importin subunit alpha-1, Large T antigen
著者Cross, E.M, Forwood, J.K, Alvisi, G.
登録日2023-05-12
公開日2024-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals.
Protein Sci., 33, 2024
8SWE
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BU of 8swe by Molmil
FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3
分子名称: Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ...
著者Valverde, R, Foster, L.
登録日2023-05-18
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2.
Proc.Natl.Acad.Sci.USA, 121, 2024
5KYD
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BU of 5kyd by Molmil
Crystal structure of USP7 catalytic domain [V302K] mutant in complex with ubiquitin
分子名称: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7
著者Rouge, L, Ozen, A.
登録日2016-07-21
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Selectively Modulating Conformational States of USP7 Catalytic Domain for Activation.
Structure, 26, 2018
7CCA
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BU of 7cca by Molmil
Crystal structure of White Spot Syndrome Virus Thymidylate Synthase - ternary complex with Methotrexate and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, Thymidylate Synthase
著者Panchal, N.V, Kumar, S, Shaikh, N, Vasudevan, D.
登録日2020-06-16
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure analysis of thymidylate synthase from white spot syndrome virus reveals WSSV-specific structural elements.
Int.J.Biol.Macromol., 167, 2021
7CQY
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BU of 7cqy by Molmil
Tetrathionate hydrolase from Acidithiobacillus ferrooxidans mutant - D325N
分子名称: SULFATE ION, Tetrathionate hydrolase
著者Tamada, T, Hirano, Y.
登録日2020-08-12
公開日2021-01-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.80035782 Å)
主引用文献Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020
4UP5
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BU of 4up5 by Molmil
Crystal structure of the Pygo2 PHD finger in complex with the B9L HD1 domain and a chemical fragment
分子名称: 6-methoxy-1,3-benzothiazol-2-amine, PYGOPUS HOMOLOG 2, B-CELL CLL/LYMPHOMA 9-LIKE PROTEIN, ...
著者Miller, T.C.R, Fiedler, M, Rutherford, T.J, Birchall, K, Chugh, J, Bienz, M.
登録日2014-06-12
公開日2014-11-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Competitive Binding of a Benzimidazole to the Histone-Binding Pocket of the Pygo Phd Finger.
Acs Chem.Biol., 9, 2014
8SDD
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BU of 8sdd by Molmil
Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate
分子名称: Alpha/beta hydrolase fold protein
著者Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A.
登録日2023-04-06
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
7CDI
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BU of 7cdi by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R.
登録日2020-06-19
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Antibody neutralization of SARS-CoV-2 through ACE2 receptor mimicry.
Nat Commun, 12, 2021
8SSH
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BU of 8ssh by Molmil
MtrR from Neisseria gonorrhoeae bound to Ethinyl Estradiol
分子名称: Ethinyl estradiol, HTH-type transcriptional regulator MtrR, PHOSPHATE ION
著者Hooks, G.M, Brennan, R.G.
登録日2023-05-08
公開日2024-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
8SY2
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BU of 8sy2 by Molmil
Peanut USP-type BURP Domain Peptide Cyclase
分子名称: BURP domain-containing protein
著者Mydy, L.S, Kersten, R.D, Smith, J.L.
登録日2023-05-24
公開日2024-02-14
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献An intramolecular macrocyclase in plant ribosomal peptide biosynthesis.
Nat.Chem.Biol., 20, 2024
5L2L
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BU of 5l2l by Molmil
Nab2 Zn fingers 5-7 bound to A11G RNA
分子名称: Nab2p, RNA (5'-R(*AP*AP*AP*AP*AP*AP*AP*AP*AP*G)-3'), ZINC ION
著者Stewart, M, Aibara, S.
登録日2016-08-02
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural basis for the dimerization of Nab2 generated by RNA binding provides insight into its contribution to both poly(A) tail length determination and transcript compaction in Saccharomyces cerevisiae.
Nucleic Acids Res., 45, 2017
5L1V
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BU of 5l1v by Molmil
X-ray Structure of M81C mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
7CU0
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BU of 7cu0 by Molmil
Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
分子名称: TRYPTOPHAN, Tryptophan 6-halogenase
著者Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P.
登録日2020-08-20
公開日2020-11-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
分子名称: TNA-containing RNA oligonucleotide
著者Harp, J.M, Egli, M.
登録日2023-04-20
公開日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
5L3F
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BU of 5l3f by Molmil
LSD1-CoREST1 in complex with polymyxin B
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, Polmyxin B, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-04-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
4UP7
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Crystal structure of Entamoeba histolytica lysyl-tRNA synthetase in complex with lysyl-adenylate
分子名称: ADENOSINE-5'-[LYSYL-PHOSPHATE], LYSINE--TRNA LIGASE
著者Bonnefond, L, Nureki, O.
登録日2014-06-14
公開日2014-10-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Crystal Structures of Entamoeba Histolytica Lysyl-tRNA Synthetase Reveal Conformational Changes Upon Lysine Binding and a Specific Helix Bundle Domain.
FEBS Lett., 588, 2014
5L3T
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BU of 5l3t by Molmil
Structure of the Saccharomyces cerevisiae TREX-2 complex
分子名称: 26S proteasome complex subunit SEM1, Nuclear mRNA export protein SAC3, Nuclear mRNA export protein THP1, ...
著者Stewart, M, Aibara, S.
登録日2016-05-24
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.927 Å)
主引用文献The Sac3 TPR-like region in the Saccharomyces cerevisiae TREX-2 complex is more extensive but independent of the CID region.
J. Struct. Biol., 195, 2016

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