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4XVI
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BU of 4xvi by Molmil
Binary complex of human polymerase nu and DNA with the finger domain ajar
Descriptor: DNA (5'-D(*AP*CP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*CP*AP*G)-3'), DNA polymerase nu
Authors:Lee, Y.-S, Yang, W.
Deposit date:2015-01-27
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How a homolog of high-fidelity replicases conducts mutagenic DNA synthesis.
Nat.Struct.Mol.Biol., 22, 2015
6PLG
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BU of 6plg by Molmil
Crystal structure of human PHGDH complexed with Compound 15
Descriptor: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE
Authors:Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2019-06-30
Release date:2019-07-24
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
6DZC
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BU of 6dzc by Molmil
Solution structure of Rbfox2 RRM mimetic peptide CPfox6
Descriptor: CPfox6
Authors:Sun, Y.-T, Varani, G.
Deposit date:2018-07-03
Release date:2019-05-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Small Cyclic beta-Hairpin Peptide Mimics the Rbfox2 RNA Recognition Motif and Binds to the Precursor miRNA 20b.
Chembiochem, 20, 2019
6P2E
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BU of 6p2e by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
Descriptor: BENZOIC ACID, GLYCEROL, OBP22, ...
Authors:Jones, D.N, Murphy, E.
Deposit date:2019-05-21
Release date:2019-07-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6DZE
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BU of 6dze by Molmil
Solution structure of Rbfox2 RRM mimetic peptide CPfox7
Descriptor: CPfox7
Authors:Sun, Y.-T, Varani, G.
Deposit date:2018-07-03
Release date:2019-05-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Small Cyclic beta-Hairpin Peptide Mimics the Rbfox2 RNA Recognition Motif and Binds to the Precursor miRNA 20b.
Chembiochem, 20, 2019
6P2K
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BU of 6p2k by Molmil
Crystal structure of AFV00434, an ancestral GH74 enzyme
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A.
Deposit date:2019-05-21
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
6EE9
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BU of 6ee9 by Molmil
Cytokine-like Peptide Stress-response Peptide-1 from Manduca Sexta
Descriptor: Stress-response Peptide-1
Authors:Schrag, L.
Deposit date:2018-08-13
Release date:2019-08-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR Solution Structure and Expression Profile of Stress Response Peptide-1: A Cytokine from Manduca sexta
To be published
3KH8
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BU of 3kh8 by Molmil
Crystal structure of MaoC-like dehydratase from Phytophthora Capsici
Descriptor: MaoC-like dehydratase
Authors:Wang, H, Zhang, K, Guo, J, Zhou, Q, Zheng, X, Sun, F, Pang, H, Zhang, X.
Deposit date:2009-10-30
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of MaoC-like dehydratase from Phytophthora Capsici
To be Published
6P6U
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BU of 6p6u by Molmil
Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
Descriptor: ADENOSINE MONOPHOSPHATE, L-lactate dehydrogenase A chain
Authors:McPherson, A.
Deposit date:2019-06-04
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal Structure of Monoclinic Rabbit Muscle Lactate Dehydrogenase with Four Tetramers as the Asymmetric Unit
to be published
7S7T
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BU of 7s7t by Molmil
iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent Sequence with varenicline bound
Descriptor: IODIDE ION, VARENICLINE, iNicSnFR 3.0 Fluorescent Nicotine Sensor
Authors:Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
4XGX
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BU of 4xgx by Molmil
Crystal structure of Escherichia coli Flavin trafficking protein, an FMN transferase, Y60N mutant, ADP-inhibited
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, FAD:protein FMN transferase, ...
Authors:Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V.
Deposit date:2015-01-02
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the enzymatic diversity of flavin-trafficking protein (Ftp; formerly ApbE) in flavoprotein biogenesis in the bacterial periplasm.
Microbiologyopen, 5, 2016
3KJD
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BU of 3kjd by Molmil
Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor ABT-888
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-03
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
3KHV
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BU of 3khv by Molmil
Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol
Descriptor: SULFATE ION, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator, ...
Authors:Jiang, L.-G, Zhao, G.-X, Bian, X.-B, Yuan, C, Huang, Z.-X, Huang, M.-D.
Deposit date:2009-10-30
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol
CHIN.J.STRUCT.CHEM., 28, 2009
6P4E
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BU of 6p4e by Molmil
Leishmania mexicana CPB in complex with an aza-nitrile inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ...
Authors:Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A.
Deposit date:2019-05-27
Release date:2020-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
3KIA
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BU of 3kia by Molmil
Crystal structure of mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus
Descriptor: CHLORIDE ION, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S.
Deposit date:2009-11-01
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011
6P4J
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BU of 6p4j by Molmil
Mouse norovirus complexed with GCDCA
Descriptor: Capsid protein, GLYCOCHENODEOXYCHOLIC ACID
Authors:Smith, T.J, Smith, T.J.
Deposit date:2019-05-27
Release date:2019-08-07
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Bile Salts Alter the Mouse Norovirus Capsid Conformation: Possible Implications for Cell Attachment and Immune Evasion.
J.Virol., 93, 2019
7S7X
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BU of 7s7x by Molmil
Crystal structure of iCytSnFR Cytisine Sensor precursor binding protein with varenicline bound
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, VARENICLINE, ...
Authors:Fan, C, Nichols, N.L, Luebbert, L, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure, Function, and Application of Bacterial ABC Transporters
Ph.D.Thesis,California Institute of Technology, 2020
6P5E
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BU of 6p5e by Molmil
Photoactive Yellow Protein PYP 80ps
Descriptor: Photoactive yellow protein
Authors:Pandey, S, Schmidt, M.
Deposit date:2019-05-30
Release date:2019-09-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Time-resolved serial femtosecond crystallography at the European XFEL.
Nat.Methods, 17, 2020
7S7U
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BU of 7s7u by Molmil
Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor with nicotine bound
Descriptor: iNicSnFR 3.0 Fluorescent Nicotine Sensor
Authors:Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
6P69
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BU of 6p69 by Molmil
Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to compound 11.
Descriptor: 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide, ...
Authors:Larsen, N.A.
Deposit date:2019-06-03
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:To be published
TBD
4CZW
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BU of 4czw by Molmil
Structure of the Neurospora crassa Pan2 catalytic unit (protease and nuclease domain)
Descriptor: PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN2, ZINC ION
Authors:Christie, M, Izaurralde, E, Weichenrieder, O.
Deposit date:2014-04-22
Release date:2014-06-04
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An Asymmetric Pan3 Dimer Recruits a Single Pan2 Exonuclease to Mediate Mrna Deadenylation and Decay.
Nat.Struct.Mol.Biol., 21, 2014
6OZD
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BU of 6ozd by Molmil
Crystal structure of Putative exported protein (BPSS2145) from Burkholderia pseudomallei K96243
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Putative exported protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-05-15
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Putative exported protein (BPSS2145) from Burkholderia pseudomallei K96243
TO BE PUBLISHED
4D05
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BU of 4d05 by Molmil
Structure and activity of a minimal-type ATP-dependent DNA ligase from a psychrotolerant bacterium
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT DNA LIGASE, MAGNESIUM ION, ...
Authors:Williamson, A, Rothweiler, U, Leiros, H.-K.S.
Deposit date:2014-04-24
Release date:2014-11-12
Last modified:2019-06-26
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Enzyme-Adenylate Structure of a Bacterial ATP-Dependent DNA Ligase with a Minimized DNA-Binding Surface
Acta Crystallogr.,Sect.D, 70, 2014
7SH3
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BU of 7sh3 by Molmil
Crystal Structure of a VirB8-like Protein of Type IV Secretion System from Rickettsia typhi in Complex with a Synthetic VirB8 Miniprotein Binder
Descriptor: Synthetic VirB8 Miniprotein Binder, VirB8-like protein of type IV secretion system
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-10-07
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of a VirB8-like Protein of Type IV Secretion System from Rickettsia typhi in Complex with a Synthetic VirB8 Miniprotein Binder
to be published
6EYY
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BU of 6eyy by Molmil
Anti-CRISPR AcrIIa6 cubic form
Descriptor: AcrIIa6
Authors:Cambillau, C, Amigues, B, Moineau, S.
Deposit date:2017-11-13
Release date:2018-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Widespread anti-CRISPR proteins in virulent bacteriophages inhibit a range of Cas9 proteins.
Nat Commun, 9, 2018

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