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7TF4
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BU of 7tf4 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) 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 (3.01 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
6SJT
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BU of 6sjt by Molmil
Crystal structure of the Legionella pneumophila type II secretion system substrate NttC
分子名称: NttC
著者Portlock, T.J, Rehman, S, Garnett, J.A.
登録日2019-08-13
公開日2020-05-20
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
1BXZ
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BU of 1bxz by Molmil
CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII
分子名称: 2-BUTANOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Li, C, Heatwole, J, Soelaiman, S, Shoham, M.
登録日1998-10-09
公開日2000-02-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability.
Proteins, 37, 1999
6SKW
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BU of 6skw by Molmil
Crystal structure of the Legionella pneumophila type II secretion system substrate NttE
分子名称: 1,2-ETHANEDIOL, NttE
著者Portlock, T.J, Rehman, S, Garnett, J.A.
登録日2019-08-16
公開日2020-05-20
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
1AG2
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BU of 1ag2 by Molmil
PRION PROTEIN DOMAIN PRP(121-231) FROM MOUSE, NMR, 2 MINIMIZED AVERAGE STRUCTURE
分子名称: MAJOR PRION PROTEIN
著者Billeter, M, Riek, R, Wider, G, Wuthrich, K, Hornemann, S, Glockshuber, R.
登録日1997-03-31
公開日1997-10-08
最終更新日2024-06-05
実験手法SOLUTION NMR
主引用文献NMR structure of the mouse prion protein domain PrP(121-231).
Nature, 382, 1996
6T2B
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BU of 6t2b by Molmil
Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+.
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H.
登録日2019-10-08
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
分子名称: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
1BV3
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BU of 1bv3 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ...
著者Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T.
登録日1998-09-22
公開日1999-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?
J.Biol.Inorg.Chem., 4, 1999
6TBX
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BU of 6tbx by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor
分子名称: 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol, ACETATE ION, GLYCEROL, ...
著者Landi, G, Tassone, G, Pozzi, C, Mangani, S.
登録日2019-11-04
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor.
Acta Crystallogr D Struct Biol, 76, 2020
4JIN
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BU of 4jin by Molmil
X-ray crystal structure of Archaeoglobus fulgidus Rio1 bound to (2E)-N-benzyl-2-cyano-3-(pyridine-4-yl)acrylamide (WP1086)
分子名称: (2E)-N-benzyl-2-cyano-3-(pyridin-4-yl)prop-2-enamide, RIO-type serine/threonine-protein kinase Rio1
著者Mielecki, M, Krawiec, K, Kiburu, I, Grzelak, K, Wlodzimierz, Z, Kierdaszuk, B, Kowa, K, Fokt, I, Szymanski, S, Piotr, S, Szeja, W, Priebe, W, Lesyng, B, LaRonde-LeBlanc, N.
登録日2013-03-06
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Development of novel molecular probes of the Rio1 atypical protein kinase.
Biochim.Biophys.Acta, 1834, 2013
6TLF
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BU of 6tlf by Molmil
human 14-3-3 sigma isoform in complex with IMP
分子名称: 14-3-3 protein sigma, INOSINIC ACID, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6NRU
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BU of 6nru by Molmil
Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CobC, ...
著者Kim, Y, Gu, M, Shatsman, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-01-24
公開日2019-03-06
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
To Be Published
6TM7
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BU of 6tm7 by Molmil
Human 14-3-3 sigma isoform in complex with PLP
分子名称: 14-3-3 protein sigma, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-03
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
6NVP
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BU of 6nvp by Molmil
Crystal structure of Pseudomonas putida nuclease MPE
分子名称: MANGANESE (II) ION, Nuclease MPE
著者Goldgur, Y, Shuman, S, Ejaz, A.
登録日2019-02-05
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Activity and structure ofPseudomonas putidaMPE, a manganese-dependent single-strand DNA endonuclease encoded in a nucleic acid repair gene cluster.
J.Biol.Chem., 294, 2019
6NVO
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BU of 6nvo by Molmil
Crystal structure of Pseudomonas putida nuclease MPE
分子名称: MANGANESE (II) ION, Nuclease MPE
著者Goldgur, Y, Shuman, S, Ejaz, A.
登録日2019-02-05
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Activity and structure ofPseudomonas putidaMPE, a manganese-dependent single-strand DNA endonuclease encoded in a nucleic acid repair gene cluster.
J.Biol.Chem., 294, 2019
6NF9
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BU of 6nf9 by Molmil
Structure of M. spretus Endogenous Virus Element (EVE) Virus-like particle (VLP)
分子名称: Mus Spretus Endogenous Viral Element
著者Callaway, H.M, Subramanian, S.
登録日2018-12-19
公開日2019-01-23
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.89 Å)
主引用文献Examination and Reconstruction of Three Ancient Endogenous Parvovirus Capsid Protein Gene Remnants Found in Rodent Genomes.
J. Virol., 93, 2019
2OH7
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BU of 2oh7 by Molmil
The Crystal Structure of Cypovirus Polyhedra containing the Human ZIP-kinase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Coulibaly, F, Chiu, E, Ikeda, K, Gutmann, S, Haebel, P.W, Schulze-Briese, C, Mori, H, Metcalf, P.
登録日2007-01-09
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
6O19
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BU of 6o19 by Molmil
Crystal Structure of Pho7 complex with pho1 promoter site 2
分子名称: DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*AP*TP*TP*TP*CP*CP*GP*AP*AP*TP*AP*AP*T)-3'), DNA (5'-D(*TP*TP*AP*TP*TP*CP*GP*GP*AP*AP*AP*TP*TP*AP*AP*AP*AP*AP*CP*A)-3'), Transcription factor Pho7, ...
著者Garg, A, Goldgur, Y, Shuman, S.
登録日2019-02-18
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.596 Å)
主引用文献Structure of Fission Yeast Transcription Factor Pho7 Bound topho1Promoter DNA and Effect of Pho7 Mutations on DNA Binding and Phosphate Homeostasis.
Mol.Cell.Biol., 39, 2019
2OI3
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BU of 2oi3 by Molmil
NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an artificial high affinity ligand (PD1)
分子名称: Tyrosine-protein kinase HCK, artificial peptide PD1
著者Schmidt, H, Stoldt, M, Hoffmann, S, Tran, T, Willbold, D.
登録日2007-01-10
公開日2007-02-20
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structure of a Hck SH3 Domain Ligand Complex Reveals Novel Interaction Modes
J.Mol.Biol., 365, 2007
6TXC
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BU of 6txc by Molmil
Crystal structure of tetrameric human wt-SAMHD1 (residues 109-626) with GTP, dATP, dCMPNPP and Mg
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A, Kelly, G, Taylor, I.A.
登録日2020-01-14
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6TVP
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Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM
分子名称: Alpha-maltose-1-phosphate synthase, SODIUM ION
著者Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2020-01-10
公開日2020-04-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM.
Acta Crystallogr.,Sect.F, 76, 2020
6TXF
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BU of 6txf by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mn
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-14
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6TX0
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BU of 6tx0 by Molmil
Crystal structure of tetrameric human D137N-SAMHD1 (residues 109-626) with XTP, dAMPNPP and Mg
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Arnold, L.H, Purkiss, A.G, Kelly, G, Taylor, I.A.
登録日2020-01-13
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of SAMHD1 inhibitor complexes reveal the mechanism of water-mediated dNTP hydrolysis.
Nat Commun, 11, 2020
6TFP
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BTK in complex with LOU064, a potent and highly selective covalent inhibitor
分子名称: SODIUM ION, Tyrosine-protein kinase BTK, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide
著者Scheufler, C, Hinniger, A, Gutmann, S.
登録日2019-11-14
公開日2020-03-04
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 63, 2020
7TEW
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BU of 7tew by Molmil
Cryo-EM structure of SARS-CoV-2 Delta (B.1.617.2) spike protein in complex with human ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, 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2022-03-16
実験手法ELECTRON MICROSCOPY (3.52 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

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