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6CO8
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Structure of Zika virus at a resolution of 3.1 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, E protein, M protein
著者Sevvana, M, Long, F, Miller, A.J, Klose, T, Buda, G, Sun, L, Kuhn, R.J, Rossmann, M.R.
登録日2018-03-12
公開日2018-07-04
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Refinement and Analysis of the Mature Zika Virus Cryo-EM Structure at 3.1 angstrom Resolution.
Structure, 26, 2018
2ESC
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BU of 2esc by Molmil
Crystal structure of a 40 KDa protective signalling protein from Bovine (SPC-40) at 2.1 A resolution
分子名称: Chitinase-3-like protein 1, alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Kumar, J, Ethayathulla, A.S, Srivastav, D.B, Sharma, S, Srinivasan, A, Singh, T.P.
登録日2005-10-26
公開日2005-12-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a bovine secretory signalling glycoprotein (SPC-40) at 2.1 Angstrom resolution.
Acta Crystallogr.,Sect.D, 62, 2006
6CK7
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BU of 6ck7 by Molmil
Crystal structure of a peptide deformylase from Legionella pneumophila bound to actinonin
分子名称: ACTINONIN, Peptide deformylase, SULFATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-02-27
公開日2018-03-07
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structures of Legionella pneumophila serogroup 1 peptide deformylase bound to nickel(II) and actinonin.
Acta Crystallogr.,Sect.F, 81, 2025
2FJP
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Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
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, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
著者Scapin, G, Patel, S.B, Becker, J.W.
登録日2006-01-03
公開日2006-07-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
6CFU
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BU of 6cfu by Molmil
Structure of Human alpha-Phosphomannomutase 1 containing mutations R180K and R183K
分子名称: MAGNESIUM ION, Phosphomannomutase 1
著者Ji, T, Dunaway-Mariano, D, Allen, K.N.
登録日2018-02-17
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Structural Basis of the Molecular Switch between Phosphatase and Mutase Functions of Human Phosphomannomutase 1 under Ischemic Conditions.
Biochemistry, 57, 2018
7VJG
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class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (1 us time-point)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D.
登録日2021-09-28
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
分子名称: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
3VSZ
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BU of 3vsz by Molmil
Crystal structure of Ct1,3Gal43A in complex with galactan
分子名称: GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, ...
著者Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
登録日2012-05-18
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.893 Å)
主引用文献Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
6CYT
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BU of 6cyt by Molmil
HIV-1 TAR loop in complex with Tat:AFF4:P-TEFb
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Schulze Gahmen, U, Hurley, J.H.
登録日2018-04-06
公開日2018-12-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural mechanism for HIV-1 TAR loop recognition by Tat and the super elongation complex.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
分子名称: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
著者Kauppi, B, Vajdos, F.
登録日2018-03-07
公開日2018-09-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
7W4Z
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BU of 7w4z by Molmil
Crystal structure of fragmin domain-1 in complex with actin (AMPPNP-form)
分子名称: 1,2-ETHANEDIOL, Actin, alpha skeletal muscle, ...
著者Takeda, S.
登録日2021-11-29
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7W50
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BU of 7w50 by Molmil
Crystal structure of fragmin domain-1 in complex with actin (ADP-Pi-form)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
著者Takeda, S.
登録日2021-11-29
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
6J98
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BU of 6j98 by Molmil
Crystal structure of P8 from Lactobacillus rhamnosus
分子名称: 1,2-ETHANEDIOL, GLYCEROL, P8, ...
著者Cha, Y.J, Cho, H.S.
登録日2019-01-22
公開日2020-03-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Crystal structure of P8 from Lactobacillus rhamnosus
To Be Published
6JOV
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BU of 6jov by Molmil
Crystal structure of a hypothetical Fe Superoxide dismutase
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FE (III) ION, ...
著者Bose, S, Purushothaman, S.S, Subramanian, R.
登録日2019-03-23
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献Crystal structure of a hypothetical Fe Superoxide dismutase
To Be Published
9H1F
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BU of 9h1f by Molmil
Cofilin-1 in complex with high-affinity Sybody B12
分子名称: Cofilin-1, SybodyB12
著者Paraschiakos, T, Windhorst, S, Pogenberg, V.
登録日2024-10-09
公開日2025-03-19
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A high affinity Sybody blocks Cofilin-1 binding to F-actin in vitro and in cancer cells.
Biochem Pharmacol, 236, 2025
4U6B
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BU of 4u6b by Molmil
Zg3597, a family 117 glycoside hydrolase, produced by the marine bacterium Zobellia galactanivorans
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
著者Ficko-Blean, E.
登録日2014-07-28
公開日2015-02-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family.
Acta Crystallogr.,Sect.D, 71, 2015
6V9S
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BU of 6v9s by Molmil
Structure-based development of subtype-selective orexin 1 receptor antagonists
分子名称: CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ...
著者Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P.
登録日2019-12-16
公開日2020-07-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
7W2E
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BU of 7w2e by Molmil
An open-like conformation of the sigma-1 receptor from Xenopus laevis
分子名称: Sigma non-opioid intracellular receptor 1
著者Meng, F, Sun, Z, Zhou, X.
登録日2021-11-23
公開日2022-03-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.557 Å)
主引用文献An open-like conformation of the sigma-1 receptor reveals its ligand entry pathway.
Nat Commun, 13, 2022
3VL9
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BU of 3vl9 by Molmil
Crystal structure of xeg-xyloglucan
分子名称: Xyloglucan-specific endo-beta-1,4-glucanase A, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Yoshizawa, T, Shimizu, T, Hirano, H, Sato, M, Hashimoto, H.
登録日2011-11-30
公開日2012-04-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural basis for inhibition of xyloglucan-specific endo-beta-1,4-glucanase (XEG) by XEG-protein inhibitor
J.Biol.Chem., 287, 2012
6UXE
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BU of 6uxe by Molmil
Structure of the human mitochondrial desulfurase complex Nfs1-ISCU2(M140I)-ISD11 with E.coli ACP1 at 1.57 A resolution showing flexibility of N terminal end of ISCU2
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ...
著者Boniecki, M.T, Cygler, M.
登録日2019-11-07
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献The essential function of ISCU2 and its conserved N-terminus in Fe/S cluster biogenesis
To Be Published
7VI5
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Electron crystallographic structure of TIA-1 prion-like domain, wild type sequence
分子名称: TIA-1 prion-like domain
著者Takaba, K, Maki-Yonekura, S, Sekiyama, N, Imamura, K, Kodama, T, Tochio, H, Yonekura, K.
登録日2021-09-24
公開日2022-09-28
最終更新日2023-11-29
実験手法ELECTRON CRYSTALLOGRAPHY (1.761 Å)
主引用文献ALS mutations in the TIA-1 prion-like domain trigger highly condensed pathogenic structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VQN
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Crystal structure of KPC-2 beta-lactamase complexed with hydrolyzed EXW-1
分子名称: (2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
著者Xie, H.X.
登録日2021-10-20
公開日2022-10-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of KPC-2 beta-lactamase complexed with hydrolyzed EXW-1
To Be Published
7W51
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Crystal structure of fragmin domain-1 in complex with actin (ADP-form)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ...
著者Takeda, S.
登録日2021-11-29
公開日2022-10-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structures and mechanisms of actin ATP hydrolysis.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VMA
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The X-ray crystallographic structure of amylo-alpha-1,6-glucosidase from Thermococcus gammatolerans STB12
分子名称: Amylo-alpha-1,6-glucosidase, putative archaeal type glycogen debranching enzyme (Gde)
著者Li, Z.F, Ban, X.F, Wang, Y.M, Li, C.M, Gu, Z.B.
登録日2021-10-08
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献The X-ray Crystallographic Structure of Amylo-alpha-1,6-glucosidase from Thermococcus gannatilerans STB12
To Be Published
7VLI
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Crystal structure of Zika NS2B-NS3 protease with compound MI2220
分子名称: 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, NS3 protease, SULFATE ION, ...
著者Quek, J.P.
登録日2021-10-02
公開日2022-08-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022

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