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PDB: 89111 results

5CL9
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BU of 5cl9 by Molmil
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 240 hours)
Descriptor: 7-methyl-3H-imidazo[4,5-c]pyridin-4-amine, AlkD, DNA (5'-D(*CP*CP*CP*GP*AP*(ORP)P*AP*GP*TP*CP*CP*G)-3'), ...
Authors:Mullins, E.A, Eichman, B.F.
Deposit date:2015-07-16
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:The DNA glycosylase AlkD uses a non-base-flipping mechanism to excise bulky lesions.
Nature, 527, 2015
8UBH
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BU of 8ubh by Molmil
Solution NMR structure of KaiB variant from Thermosynechococcus elongatus vestitus (KaiBTV-4)
Descriptor: Circadian oscillation regulator
Authors:Ojoawo, A, Wayment-Steele, H.K, Kern, D.
Deposit date:2023-09-23
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Predicting multiple conformations via sequence clustering and AlphaFold2.
Nature, 625, 2024
4REK
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BU of 4rek by Molmil
Crystal structure and charge density studies of cholesterol oxidase from Brevibacterium sterolicum at 0.74 ultra-high resolution
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Zarychta, B, Lyubimov, A, Ahmed, M, Munshi, P, Guillot, B, Vrielink, A.
Deposit date:2014-09-23
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.74 Å)
Cite:Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis.
Acta Crystallogr.,Sect.D, 71, 2015
5ZZ1
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BU of 5zz1 by Molmil
Probing the active center of catalase-phenol oxidase from Scytalidium thermophilum
Descriptor: 3-AMINO-1,2,4-TRIAZOLE, CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Yuzugullu Karakus, Y, Trinh, C.H, Pearson, A.R, Ogel, Z.B, McPherson, M.J.
Deposit date:2018-05-29
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
5JRU
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BU of 5jru by Molmil
Crystal structure of Fe(II) unliganded H-NOX protein from C. subterraneus
Descriptor: Methyl-accepting chemotaxis protein, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bruegger, J, Hespen, C, Phillips-Piro, C.M, Marletta, M.A.
Deposit date:2016-05-06
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Structural and Functional Evidence Indicates Selective Oxygen Signaling in Caldanaerobacter subterraneus H-NOX.
Acs Chem.Biol., 11, 2016
3LK9
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BU of 3lk9 by Molmil
DNA polymerase beta with a gapped DNA substrate and dTMP(CF2)P(CF2)P
Descriptor: 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
Authors:Zibinsky, M, Surya Prakash, G.K, Upton, T.G, Kashemirov, B.A, McKenna, C.E, Oertell, K, Goodman, M.F, Batra, V.K, Pedersen, L.C, Beard, W.A, Wilson, S.H.
Deposit date:2010-01-27
Release date:2011-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of fluorinated deoxynucleotide analogs based on bis-(difluoromethylene)triphosphoric acid.
Proc.Natl.Acad.Sci.USA, 107, 2010
4XH1
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BU of 4xh1 by Molmil
Crystal structure of Salmonella typhimurium propionate kinase in complex with AMPPNP and propionate
Descriptor: GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PROPANOIC ACID, ...
Authors:Murthy, A.M.V, Mathivanan, S, Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2015-01-04
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of substrate- and nucleotide-bound propionate kinase from Salmonella typhimurium: substrate specificity and phosphate-transfer mechanism
Acta Crystallogr.,Sect.D, 71, 2015
5XBP
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BU of 5xbp by Molmil
Oxygenase component of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2
Descriptor: 3NT oxygenase alpha subunit, 3NT oxygenase beta subunit, FE (III) ION, ...
Authors:Ramaswamy, S, Kumari, A, Singh, D, Gurunath, R.
Deposit date:2017-03-21
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional studies of ferredoxin and oxygenase components of 3-nitrotoluene dioxygenase from Diaphorobacter sp. strain DS2.
PLoS ONE, 12, 2017
8IU6
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BU of 8iu6 by Molmil
Crystal structure of peptidyl-tRNA hydrolase mutant from Enterococcus faecium
Descriptor: GLYCEROL, Peptidyl-tRNA hydrolase
Authors:Pandey, R, Tripathi, S, Lanka, A.K, Zohib, M, Pal, R.K, Arora, A.
Deposit date:2023-03-23
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of peptidyl-tRNA hydrolase mutant from Enterococcus faecium
To Be Published
7A38
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BU of 7a38 by Molmil
Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0
To be published
7H2O
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BU of 7h2o by Molmil
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z234898257
Descriptor: DIMETHYL SULFOXIDE, N-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine, Serine protease NS3, ...
Authors:Ni, X, Godoy, A.S, Marples, P.G, Fairhead, M, Balcomb, B.H, Tomlinson, C.W.E, Koekemoer, L, Aschenbrenner, J.C, Lithgo, R.M, Thompson, W, Wild, C, Williams, E.P, Winokan, M, Chandran, A.V, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2024-04-03
Release date:2024-05-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:PanDDA analysis group deposition of ZIKV NS2B-NS3 protease
To Be Published
8TXH
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BU of 8txh by Molmil
Crystal structure of KRAS G12D in complex with GDP and compound 14
Descriptor: (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Chen, P, Irimia, A, Yang, Z.
Deposit date:2023-08-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
5K54
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BU of 5k54 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state
Descriptor: Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.717 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
5C1C
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BU of 5c1c by Molmil
Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Deglycosylated Form
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Jameson, G.B, Williams, M.A.K, Loo, T.S, Kent, L.M, Melton, L.D, Mercadante, D.
Deposit date:2015-06-13
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control.
J.Biol.Chem., 291, 2016
5C1M
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BU of 5c1m by Molmil
Crystal structure of active mu-opioid receptor bound to the agonist BU72
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
Authors:Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K.
Deposit date:2015-06-15
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
5TRX
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BU of 5trx by Molmil
Room temperature structure of an extradiol ring-cleaving dioxygenase from B.fuscum determined using serial femtosecond crystallography
Descriptor: CALCIUM ION, CHLORIDE ION, FE (II) ION, ...
Authors:Kovaleva, E.G, Oberthuer, D, Tolstikova, A, Mariani, V.
Deposit date:2016-10-27
Release date:2017-03-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Double-flow focused liquid injector for efficient serial femtosecond crystallography
Sci. Rep., 7, 2017
7A2K
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BU of 7a2k by Molmil
Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5
Descriptor: SODIUM ION, Tyrosine-protein kinase Fyn
Authors:Camara-Artigas, A, Plaza-Garrido, M, Salinas-Garcia, M.C.
Deposit date:2020-08-18
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5
To be published
7A0A
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BU of 7a0a by Molmil
Crystal structure of mouse CSAD in apo form
Descriptor: Cysteine sulfinic acid decarboxylase, SODIUM ION, SULFATE ION
Authors:Mahootchi, E, Raasakka, A, Haavik, J, Kursula, P.
Deposit date:2020-08-07
Release date:2021-08-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of cysteine sulphinic acid decarboxylase reveals structural determinants for substrate specificity of pyridoxal phosphate-dependent decarboxylases
To be published
5C2V
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BU of 5c2v by Molmil
Kuenenia stuttgartiensis Hydrazine Synthase
Descriptor: CALCIUM ION, CHLORIDE ION, HEME C, ...
Authors:Dietl, A, Ferousi, C, Maalcke, W.J, Menzel, A, de Vries, S, Keltjens, J.T, Jetten, M.S.M, Kartal, B, Barends, T.R.M.
Deposit date:2015-06-16
Release date:2015-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The inner workings of the hydrazine synthase multiprotein complex.
Nature, 527, 2015
6ADD
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BU of 6add by Molmil
The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with CoA and NLQ
Descriptor: Amino-acid acetyltransferase, COENZYME A, N~2~-ACETYL-L-GLUTAMINE
Authors:Das, U, Singh, E, Pal, R.K, Tiruttani Subhramanyam, U.K, Gourinath, S, Srinivasan, A.
Deposit date:2018-07-31
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Structural insights into the substrate binding mechanism of novel ArgA from Mycobacterium tuberculosis
Int. J. Biol. Macromol., 125, 2019
3OXB
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BU of 3oxb by Molmil
Crystal structure of glycine riboswitch with single mutation
Descriptor: Domain II of glycine riboswitch, MAGNESIUM ION
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-21
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.947 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010
5GY0
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BU of 5gy0 by Molmil
Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotetraose
Descriptor: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Jeng, W.Y, Liu, C.I, Wang, A.H.J.
Deposit date:2016-09-21
Release date:2017-09-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structures of the C-Terminally Truncated Endoglucanase Cel9Q from Clostridium thermocellum Complexed with Cellodextrins and Tris.
Chembiochem, 20, 2019
6ADO
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BU of 6ado by Molmil
LdCoroCC mutant-I486A
Descriptor: Coronin-like protein
Authors:Karade, S.S, Ansari, A, Pratap, J.V.
Deposit date:2018-08-01
Release date:2019-10-09
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
3OXM
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BU of 3oxm by Molmil
crystal structure of glycine riboswitch, Tl-Acetate soaked
Descriptor: GLYCINE, MAGNESIUM ION, THALLIUM (I) ION, ...
Authors:Huang, L, Serganov, A, Patel, D.J.
Deposit date:2010-09-21
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural insights into ligand recognition by a sensing domain of the cooperative glycine riboswitch.
Mol.Cell, 40, 2010
3LNX
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BU of 3lnx by Molmil
Second PDZ domain from human PTP1E
Descriptor: IODIDE ION, THIOCYANATE ION, Tyrosine-protein phosphatase non-receptor type 13
Authors:Zhang, J, Chang, A, Ke, H, Phillips Jr, G.N, Lee, A.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2010-02-03
Release date:2010-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.642 Å)
Cite:Crystallographic and nuclear magnetic resonance evaluation of the impact of peptide binding to the second PDZ domain of protein tyrosine phosphatase 1E.
Biochemistry, 49, 2010

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