8K9Q
 
 | | Cryo-EM structure of the GPI inositol-deacylase (PGAP1/Bst1) from Chaetomium thermophilum | | Descriptor: | (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, CHOLESTEROL HEMISUCCINATE, GPI inositol-deacylase,fused thermostable green fluorescent protein | | Authors: | Hong, J, Li, T, Qu, Q, Li, D. | | Deposit date: | 2023-08-01 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Molecular basis of the inositol deacylase PGAP1 involved in quality control of GPI-AP biogenesis.
Nat Commun, 15, 2024
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7LOL
 | | The structure of Agmatinase from E. Coli at 1.8 A displaying urea and agmatine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AGMATINE, Agmatinase, ... | | Authors: | Maturana, P, Figueroa, M, Gonzalez-Ordenes, F, Villalobos, P, Martinez-Oyanedel, J, Uribe, E.A, Castro-Fernandez, V. | | Deposit date: | 2021-02-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity.
Int J Mol Sci, 22, 2021
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8K9T
 | | Cryo-EM structure of the products-bound PGAP1(Bst1)-S327A from Chaetonium thermophilum | | Descriptor: | 2-amino-2-deoxy-alpha-D-glucopyranose, 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate, 2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate, ... | | Authors: | Li, T, Hong, J, Qu, Q, Li, D. | | Deposit date: | 2023-08-01 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-17 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Molecular basis of the inositol deacylase PGAP1 involved in quality control of GPI-AP biogenesis.
Nat Commun, 15, 2024
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8EBW
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8BGP
 | | N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus anomalous data | | Descriptor: | Diacetylchitobiose deacetylase, ZINC ION | | Authors: | Rypniewski, W, Biniek-Antosiak, K, Bejger, M. | | Deposit date: | 2022-10-28 | | Release date: | 2023-01-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural, Thermodynamic and Enzymatic Characterization of N , N -Diacetylchitobiose Deacetylase from Pyrococcus chitonophagus.
Int J Mol Sci, 23, 2022
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1GXQ
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8BEE
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6BL4
 | | Crystal Complex of Cyclooxygenase-2 with indomethacin-ethylenediamine-dansyl conjugate | | Descriptor: | 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[2-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)ethyl]acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. | | Deposit date: | 2017-11-09 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Fluorescent indomethacin-dansyl conjugates utilize the membrane-binding domain of cyclooxygenase-2 to block the opening to the active site.
J.Biol.Chem., 294, 2019
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6LP8
 | | Crystal structure of human DHODH in complex with inhibitor 1243 | | Descriptor: | 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Chen, Q, Yu, Y. | | Deposit date: | 2020-01-09 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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8DQN
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8BED
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7LX7
 | | T4 lysozyme mutant L99A | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-phenylethoxy)phenol, Lysozyme | | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | Deposit date: | 2021-03-03 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8E14
 | | Cryo-EM structure of Rous sarcoma virus strand transfer complex | | Descriptor: | DNA (42-MER), DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*TP*AP*CP*TP*C)-3'), DNA (5'-D(*AP*GP*TP*GP*TP*CP*TP*TP*CP*TP*TP*CP*TP*TP*TP*C)-3'), ... | | Authors: | Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P. | | Deposit date: | 2022-08-09 | | Release date: | 2023-04-26 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Molecular determinants for Rous sarcoma virus intasome assemblies involved in retroviral integration.
J.Biol.Chem., 299, 2023
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8JQJ
 | | Crystal structure of carbonyl reductase SSCR mutant 1 from Sporobolomyces Salmonicolor | | Descriptor: | Aldehyde reductase 2 | | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2023-06-14 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
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8BA0
 | | Drosophila melanogaster complex I in the Twisted state (Dm2) | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ... | | Authors: | Agip, A.N.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J. | | Deposit date: | 2022-10-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.68 Å) | | Cite: | Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
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3AUL
 | | Crystal structure of wild-type Lys48-linked diubiquitin in an open conformation | | Descriptor: | Polyubiquitin-C | | Authors: | Hirano, T, Olivier, S, Yagi, M, Takemoto, E, Hiromoto, T, Satoh, T, Mizushima, T, Kato, K. | | Deposit date: | 2011-02-09 | | Release date: | 2011-09-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Conformational dynamics of wild-type Lys48-linked diubiquitin in solution
J.Biol.Chem., 286, 2011
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7LX8
 | | T4 lysozyme mutant L99A | | Descriptor: | 1-chloro-2-(methylsulfanyl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | Deposit date: | 2021-03-03 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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8JQK
 | | Crystal structure of a carbonyl reductase SSCR mutant from Sporobolomyces Salmonicolor | | Descriptor: | Aldehyde reductase 2 | | Authors: | Zhang, H.L, Li, Q, Liu, W.D, Chen, X, Wu, Q.Q, Zhu, D.M. | | Deposit date: | 2023-06-14 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Engineering a Carbonyl Reductase to Simultaneously Increase Activity Toward Bulky Ketone and Isopropanol for Dynamic Kinetic Asymmetric Reduction via Enzymatic Hydrogen Transfer
Acs Catalysis, 13, 2023
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6BOU
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3SDH
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7LX9
 | | T4 lysozyme mutant L99A | | Descriptor: | (but-3-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme | | Authors: | Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. | | Deposit date: | 2021-03-03 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1HFP
 | | COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | | Deposit date: | 1997-11-04 | | Release date: | 1998-01-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
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8DU5
 | | Murine sialidase-1 (NEU1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialidase-1, ... | | Authors: | Gorelik, A, Illes, K, Nagar, B. | | Deposit date: | 2022-07-26 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of the immunoregulatory sialidase NEU1.
Sci Adv, 9, 2023
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6LR1
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1H3O
 | | Crystal Structure of the Human TAF4-TAF12 (TAFII135-TAFII20) Complex | | Descriptor: | TRANSCRIPTION INITIATION FACTOR TFIID 135 KDA SUBUNIT, TRANSCRIPTION INITIATION FACTOR TFIID 20/15 KDA SUBUNITS | | Authors: | Werten, S, Mitschler, A, Moras, D. | | Deposit date: | 2002-09-12 | | Release date: | 2002-09-26 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of a Subcomplex of Human Transcription Factor TFIID Formed by TATA Binding Protein-Associated Factors Htaf4 (Htaf(II)135) and Htaf12 (Htaf(II)20).
J.Biol.Chem., 277, 2002
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