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2GVI
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BU of 2gvi by Molmil
Crystal structure of a putative formylmethanofuran dehydrogenase subunit e (ta1109) from thermoplasma acidophilum at 1.87 A resolution
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, UNKNOWN LIGAND, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-05-02
公開日2006-06-13
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structures of three members of Pfam PF02663 (FmdE) implicated in microbial methanogenesis reveal a conserved alpha+beta core domain and an auxiliary C-terminal treble-clef zinc finger.
Acta Crystallogr.,Sect.F, 66, 2010
2DUA
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BU of 2dua by Molmil
Crystal Structure of Phosphonopyruvate Hydrolase Complex with Oxalate and Mg++
分子名称: CHLORIDE ION, MAGNESIUM ION, OXALATE ION, ...
著者Herzberg, O, Chen, C.
登録日2006-07-21
公開日2006-10-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Kinetics of Phosphonopyruvate Hydrolase from Voriovorax sp. Pal2: New Insight into the Divergence of Catalysis within the PEP Mutase/Isocitrate Lyase Superfamily
Biochemistry, 45, 2006
7BZV
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BU of 7bzv by Molmil
Crystal structure of 2-aminomuconic 6-semialdehyde dehydrogenase from Pseudomonas species AP-3
分子名称: 2-aminomuconic 6-semialdehyde dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Shi, Q.L, Chen, Y.J, Su, D.
登録日2020-04-28
公開日2021-04-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献The tetrameric assembly of 2-aminomuconic 6-semialdehyde dehydrogenase is a functional requirement of cofactor NAD + binding.
Environ.Microbiol., 2021
6W4Q
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BU of 6w4q by Molmil
Crystal structure of full-length tailspike protein 2 (TSP2, ORF211) ) from Escherichia coli O157:H7 bacteriophage CAB120
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, CHLORIDE ION, ...
著者Greenfield, J, Herzberg, O.
登録日2020-03-11
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and function of bacteriophage CBA120 ORF211 (TSP2), the determinant of phage specificity towards E. coli O157:H7.
Sci Rep, 10, 2020
7BWQ
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BU of 7bwq by Molmil
Structure of nonstructural protein Nsp9 from SARS-CoV-2
分子名称: Nsp9, SULFATE ION
著者Zhang, C, Chen, Y, Li, L, Su, D.
登録日2020-04-15
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.954 Å)
主引用文献Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2.
Mol Biomed, 1, 2020
3I81
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BU of 3i81 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
分子名称: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
著者Sack, J.S.
登録日2009-07-09
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
8WMH
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BU of 8wmh by Molmil
Structure of CbCas9 bound to 6-nucleotide complementary DNA substrate
分子名称: NTS, TS, deadCbCas9, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-03
公開日2024-06-05
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WMM
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BU of 8wmm by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 28-bp DNA substrate (20-nt complementary)
分子名称: MAGNESIUM ION, NTS, PcrIIC1, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-04
公開日2024-06-05
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WMN
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BU of 8wmn by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (symmetric 20-nt complementary)
分子名称: DNA (62-MER), MAGNESIUM ION, PcrIIC1, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-04
公開日2024-06-05
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
8WR4
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BU of 8wr4 by Molmil
Structure of CbCas9-PcrIIC1 complex bound to 62-bp DNA substrate (non-targeting complex)
分子名称: CbCas9 effector-1, DNA (62-MER), MAGNESIUM ION, ...
著者Zhang, S, Lin, S, Liu, J.J.G.
登録日2023-10-13
公開日2024-06-05
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Pro-CRISPR PcrIIC1-associated Cas9 system for enhanced bacterial immunity.
Nature, 630, 2024
5GNK
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BU of 5gnk by Molmil
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, CHLORIDE ION, ...
著者Yan, X.E, Yun, C.H.
登録日2016-07-21
公開日2017-04-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Discovery of (R)-1-(3-(4-Amino-3-(3-chloro-4-(pyridin-2-ylmethoxy)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (CHMFL-EGFR-202) as a Novel Irreversible EGFR Mutant Kinase Inhibitor with a Distinct Binding Mode.
J. Med. Chem., 60, 2017
8FAQ
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BU of 8faq by Molmil
Structure of Hemagglutinin from Influenza A/Victoria/22/2020
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, Hemagglutinin
著者Hernandez Garcia, A, Lei, R.
登録日2022-11-28
公開日2024-06-19
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.035 Å)
主引用文献Epistasis mediates the evolution of the receptor binding mode in recent human H3N2 hemagglutinin.
Nat Commun, 15, 2024
8FAW
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BU of 8faw by Molmil
Structure of Hemagglutinin from Influenza A/Victoria/22/2020 in complex with LSTC
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, Hemagglutinin, ...
著者Hernandez Garcia, A, Lei, R.
登録日2022-11-28
公開日2024-06-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Epistasis mediates the evolution of the receptor binding mode in recent human H3N2 hemagglutinin.
Nat Commun, 15, 2024
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
分子名称: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2016-08-23
公開日2017-09-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
6JIJ
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BU of 6jij by Molmil
The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
分子名称: 02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
著者Cui, W, Cui, S.S.
登録日2019-02-21
公開日2019-04-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor.
Biochem. Biophys. Res. Commun., 511, 2019
8FSL
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BU of 8fsl by Molmil
Human Mesothelin bound to a neutralizing VH domain antibody
分子名称: Mesothelin, VH domain
著者Calero, G.
登録日2023-01-10
公開日2024-05-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Preclinical assessment of a novel human antibody VH domain targeting mesothelin as an antibody-drug conjugate.
Mol Ther Oncolytics, 31, 2023
3L9P
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BU of 3l9p by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
分子名称: Anaplastic lymphoma kinase, GLYCEROL
著者Lee, C.
登録日2010-01-05
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
6KW1
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BU of 6kw1 by Molmil
The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide 1b
分子名称: 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid, ACETATE ION, Beta-lactamase class B VIM-2, ...
著者Yang, K.W, Xiang, Y.
登録日2019-09-05
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.775212 Å)
主引用文献Kinetic, Thermodynamic, and Crystallographic Studies of 2-Triazolylthioacetamides as Verona Integron-Encoded Metallo-beta-Lactamase 2 (VIM-2) Inhibitor.
Biomolecules, 10, 2020
8WOL
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BU of 8wol by Molmil
Cryo-EM structure of the Mmp1 encapasulin from Mycobacterium smegmatis
分子名称: Major membrane protein 1
著者Zhang, M, Tang, Y, Gao, Y, Liu, X, Lan, W, Liu, Y, Ma, M.
登録日2023-10-07
公開日2024-11-27
最終更新日2025-01-01
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献The structural and functional analysis of mycobacteria cysteine desulfurase-loaded encapsulin.
Commun Biol, 7, 2024
8WON
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BU of 8won by Molmil
Cryo-EM structure of the 10-subunits Mmp1 complex from Mycobacterium smegmatis
分子名称: Major membrane protein I
著者Zhang, M, Tang, Y, Gao, Y, Liu, X, Lan, W, Liu, Y, Ma, M.
登録日2023-10-07
公開日2025-01-01
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献The structural and functional analysis of mycobacteria cysteine desulfurase-loaded encapsulin.
Commun Biol, 7, 2024
5EJN
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BU of 5ejn by Molmil
Crystal structure of Juno, the mammalian egg receptor for sperm Izumo1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno
著者Nishimura, K, Han, L, Jovine, L.
登録日2015-11-02
公開日2016-02-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Divergent evolution of vitamin B9 binding underlies Juno-mediated adhesion of mammalian gametes.
Curr.Biol., 26, 2016
5J39
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BU of 5j39 by Molmil
Crystal Structure of the extended TUDOR domain from TDRD2
分子名称: CACODYLATE ION, Tudor and KH domain-containing protein, UNKNOWN ATOM OR ION
著者Zhang, H, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2016-03-30
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for arginine methylation-independent recognition of PIWIL1 by TDRD2.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3HG8
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BU of 3hg8 by Molmil
Crystal Structure of 5-SMe Derivatized DNA
分子名称: 5'-D(*GP*(UMS)P*GP*(US2)P*AP*CP*AP*C)-3'
著者Sheng, J, Hassan, A.E.A, Zhang, W, Huang, Z.
登録日2009-05-13
公開日2009-07-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
7KXD
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BU of 7kxd by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH {3,5-DICHLORO-4-[4-METHOXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}METHANOL
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 peptide chimera, {3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol
著者Sack, J.
登録日2020-12-03
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Substituted diaryl ether compounds as retinoic acid-related orphan Receptor-gamma t (ROR gamma t) agonists.
Bioorg.Med.Chem.Lett., 35, 2021
3IUR
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BU of 3iur by Molmil
apPEP_D266Nx+H2H3 opened state
分子名称: GLYCEROL, H2H3 helices from villin headpiece subdomain HP35, POLYETHYLENE GLYCOL (N=34), ...
著者Chiu, T.K.
登録日2009-08-31
公開日2010-05-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010

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