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2BUZ
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Crystal Structure of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R133H in Complex with 4-Nitrocatechol
分子名称: 4-NITROCATECHOL, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-20
公開日2006-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Studies of Intradiol Dioxygenases
Ph D Thesis, 2001
1JX4
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Crystal Structure of a Y-family DNA Polymerase in a Ternary Complex with DNA Substrates and an Incoming Nucleotide
分子名称: 2',3'-DIDEOXYADENOSINE-5'-DIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3', 5'-D(*T*TP*CP*AP*TP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ...
著者Ling, H, Boudsocq, F, Woodgate, R, Yang, W.
登録日2001-09-05
公開日2001-10-05
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Y-family DNA polymerase in action: a mechanism for error-prone and lesion-bypass replication.
Cell(Cambridge,Mass.), 107, 2001
2BUV
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Crystal Structure Of Protocatechuate 3,4-Dioxygenase from Acinetobacter Sp. ADP1 Mutant R457S in Complex with Protocatechuate
分子名称: 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, ...
著者Vetting, M.W, Valley, M.P, D'Argenio, D.A, Ornston, L.N, Lipscomb, J.D, Ohlendorf, D.H.
登録日2005-06-17
公開日2006-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biophysical Analyses of Designed and Selected Mutants of Protocatechuate 3,4-Dioxygenase
Annu.Rev.Microbiol., 58, 2004
8F8E
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BU of 8f8e by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
分子名称: (3P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-3-(4-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide, CITRIC ACID, DDB1- and CUL4-associated factor 1
著者Kimani, S, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-11-21
公開日2023-03-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of the WDR domain of human DCAF1 in complex with OICR-8268 compound
To be published
8G18
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Heterodimer of the GluN1b-GluN2B NMDA receptor amino-terminal domains bound to allosteric inhibitor 93-108
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
著者Regan, M.C, Furukawa, H.
登録日2023-02-01
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Novel GluN2B-Selective NMDA Receptor Negative Allosteric Modulator Possesses Intrinsic Analgesic Properties and Enhances Analgesia of Morphine in a Rodent Tail Flick Pain Model.
Acs Chem Neurosci, 14, 2023
8FYQ
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MicroED structure of Proteinase K from argon milled lamellae
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.4 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
8FYR
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MicroED structure of Proteinase K from oxygen milled lamellae
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.5 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
8FYP
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MicroED structure of Proteinase K from xenon milled lamellae
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.45 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
8FYN
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BU of 8fyn by Molmil
MicroED structure of A2A from plasma milled lamellae
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
最終更新日2023-03-22
実験手法ELECTRON CRYSTALLOGRAPHY (2 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
8FYS
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MicroED structure of Proteinase K from nitrogen milled lamellae
分子名称: CALCIUM ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-03-08
実験手法ELECTRON CRYSTALLOGRAPHY (1.8 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023
7ZWB
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BU of 7zwb by Molmil
human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
分子名称: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
8FWI
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Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ...
著者Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
登録日2023-01-22
公開日2023-03-22
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献From primordial clocks to circadian oscillators.
Nature, 616, 2023
7AOR
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BU of 7aor by Molmil
mt-SSU from Trypanosoma cruzi in complex with mt-IF-3.
分子名称: 30S Ribosomal protein S17-like protein, AKAP7_NLS domain-containing protein, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Soufari, H, Waltz, F, Parrot, C, Bochler, A, Hashem, Y.
登録日2020-10-15
公開日2021-04-28
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the mature kinetoplastids mitoribosome and insights into its large subunit biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
1K2X
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BU of 1k2x by Molmil
Crystal structure of putative asparaginase encoded by Escherichia coli ybiK gene
分子名称: CHLORIDE ION, Putative L-asparaginase, SODIUM ION
著者Borek, D, Jaskolski, M.
登録日2001-09-30
公開日2003-09-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal packing of plant-type L-asparaginase from Escherichia coli.
Acta Crystallogr.,Sect.D, 64, 2008
6YCG
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BU of 6ycg by Molmil
Structure the bromelain protease from Ananas comosus in complex with the TLCK inhibitor
分子名称: CITRIC ACID, FBSB, ISOPROPYL ALCOHOL, ...
著者Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F.
登録日2020-03-18
公開日2020-11-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity.
Sci Rep, 10, 2020
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
1JWG
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BU of 1jwg by Molmil
VHS Domain of human GGA1 complexed with cation-independent M6PR C-terminal Peptide
分子名称: ADP-ribosylation factor binding protein GGA1, Cation-independent mannose-6-phosphate receptor, IODIDE ION
著者Shiba, T, Takatsu, H, Nogi, T, Matsugaki, N, Kawasaki, M, Igarashi, N, Suzuki, M, Kato, R, Earnest, T, Nakayama, K, Wakatsuki, S.
登録日2001-09-04
公開日2002-03-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for recognition of acidic-cluster dileucine sequence by GGA1.
Nature, 415, 2002
6YDR
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BU of 6ydr by Molmil
Crystal structure of Mengla Virus VP30 C-terminal domain
分子名称: GLYCEROL, Minor nucleoprotein VP30, SULFATE ION
著者Tomas Gilabert, O, Ferrero, D.S, Verdaguer, N.
登録日2020-03-20
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of Mengla Virus VP30 C-terminal domain
To Be Published
8FJ9
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Structure of the catalytic domain of Streptococcus mutans GtfB in tetragonal space group P4322
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Schormann, N, Deivanayagam, C.
登録日2022-12-19
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FKL
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Truncated form of the catalytic domain of Streptococcus mutans GtfB
分子名称: 1,2-ETHANEDIOL, Glucosyltransferase-I, MAGNESIUM ION
著者Schormann, N, Deivanayagam, C.
登録日2022-12-21
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
8FN5
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BU of 8fn5 by Molmil
Structure of the truncated catalytic domain of Streptococcus mutans GtfD
分子名称: Glucosyltransferase-S
著者Schormann, N, Deivanayagam, C.
登録日2022-12-27
公開日2023-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis.
Acta Crystallogr.,Sect.F, 79, 2023
6YI7
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Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
分子名称: 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea, ACETATE ION, Cathepsin B-like peptidase (C01 family)
著者Jilkova, A, Rezacova, P, Pachl, P, Fanfrlik, J, Rubesova, P, Guetschow, M, Mares, M.
登録日2020-04-01
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni : Structural and Mechanistic Insights into Chemotype Reactivity.
Acs Infect Dis., 7, 2021
8FO3
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Structure of full-length amyloidogenic immunoglobulin light chain H9 in complex with (E)-3-nitro-4-(2-(2-phenylpropylidene)hydrazineyl)benzenesulfonamide
分子名称: 3-nitro-4-{2-[(2S)-2-phenylpropyl]hydrazinyl}benzene-1-sulfonamide, H9 immunoglobulin light chain, PHOSPHATE ION
著者Yan, N.L, Wilson, I.A, Kelly, J.W.
登録日2022-12-29
公開日2023-05-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of Diaryl Hydrazone and Sulfone Stabilizers in Complex with an Amyloidogenic Light Chain Reveal an Alternate Ligand-Binding Cavity
Isr.J.Chem., 2023
8FUI
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HIV-1 wild type protease with GRL-02519A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group
分子名称: ACETATE ION, CHLORIDE ION, FORMIC ACID, ...
著者Wang, Y.-F, Wong-Sam, A.E, Ghosh, A.K, Weber, I.T.
登録日2023-01-17
公開日2023-05-24
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation.
Eur.J.Med.Chem., 255, 2023
8FYO
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MicroED structure of Proteinase K from lamellae milled from multiple plasma sources
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martynowycz, M.W, Shiriaeva, A, Clabbers, M.T.B, Nicolas, W.J, Weaver, S.J, Hattne, J, Gonen, T.
登録日2023-01-26
公開日2023-05-24
実験手法ELECTRON CRYSTALLOGRAPHY (1.39 Å)
主引用文献A robust approach for MicroED sample preparation of lipidic cubic phase embedded membrane protein crystals.
Nat Commun, 14, 2023

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