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PDB: 89111 results

6BGS
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BU of 6bgs by Molmil
Caspase-3 Mutant - S150Y
Descriptor: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
Authors:Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
Deposit date:2017-10-29
Release date:2018-02-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
4YQJ
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BU of 4yqj by Molmil
Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
Descriptor: 4-amino-2-(cyclopentylamino)pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Elkins, P.A, Bonnette, W.G, Stuckey, J.A.
Deposit date:2015-03-13
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds
To Be Published
6BHW
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BU of 6bhw by Molmil
B. subtilis SsbA
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Single-stranded DNA-binding protein A
Authors:Dubiel, K.D, Myers, A.R, Satyshur, K.A, Keck, J.L.
Deposit date:2017-10-31
Release date:2018-12-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Structural Mechanisms of Cooperative DNA Binding by Bacterial Single-Stranded DNA-Binding Proteins.
J. Mol. Biol., 431, 2019
6FAB
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BU of 6fab by Molmil
THREE-DIMENSIONAL STRUCTURE OF MURINE ANTI-P-AZOPHENYLARSONATE FAB 36-71. 1. X-RAY CRYSTALLOGRAPHY, SITE-DIRECTED MUTAGENESIS, AND MODELING OF THE COMPLEX WITH HAPTEN
Descriptor: IGG1-KAPPA 36-71 FAB (HEAVY CHAIN), IGG1-KAPPA 36-71 FAB (LIGHT CHAIN)
Authors:Strong, R.K, Rose, D.R, Petsko, G.A, Sharon, J, Margolies, M.N.
Deposit date:1991-01-17
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-dimensional structure of murine anti-p-azophenylarsonate Fab 36-71. 1. X-ray crystallography, site-directed mutagenesis, and modeling of the complex with hapten.
Biochemistry, 30, 1991
6MF6
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BU of 6mf6 by Molmil
Crystal structure of budding yeast Cdc5 polo-box domain in complex with the Dbf4 polo-interacting region.
Descriptor: Cell cycle serine/threonine-protein kinase CDC5/MSD2, DDK kinase regulatory subunit DBF4
Authors:Guarne, A, Almawi, A.W.
Deposit date:2018-09-09
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Distinct surfaces on Cdc5/PLK Polo-box domain orchestrate combinatorial substrate recognition during cell division.
Sci Rep, 10, 2020
8FAY
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BU of 8fay by Molmil
Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
Descriptor: Adenine DNA glycosylase, DNA (5'-D(*AP*AP*GP*AP*CP*(8OG)P*TP*GP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*CP*AP*(NR1)P*GP*TP*CP*T)-3'), ...
Authors:Trasvina-Arenas, C.H, Lin, W.J, Demir, M, Fisher, A.J, David, S.S, Horvath, M.P.
Deposit date:2022-11-29
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Human MUTYH adenine glycosylase bound to DNA containing a transition state analog (1N) paired with d(8-oxo-G)
To Be Published
4YS0
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BU of 4ys0 by Molmil
Conformational changes of the clamp of the protein translocation ATPase SecA from Thermotoga maritima
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein translocase subunit SecA
Authors:Chen, Y, Rapoport, T.A.
Deposit date:2015-03-16
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Conformational Changes of the Clamp of the Protein Translocation ATPase SecA.
J.Mol.Biol., 427, 2015
4YHA
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BU of 4yha by Molmil
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with methazolamide
Descriptor: Alpha-carbonic anhydrase, CHLORIDE ION, GLYCEROL, ...
Authors:Roujeinikova, A, Modak, J.K.
Deposit date:2015-02-27
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides.
Plos One, 10, 2015
4RV7
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BU of 4rv7 by Molmil
Characterization of an essential diadenylate cyclase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Diadenylate cyclase, HEXANE-1,6-DIOL, ...
Authors:Dickmanns, A, Neumann, P, Ficner, R.
Deposit date:2014-11-25
Release date:2015-01-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Biochemical Analysis of the Essential Diadenylate Cyclase CdaA from Listeria monocytogenes.
J.Biol.Chem., 290, 2015
5HWB
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BU of 5hwb by Molmil
Aspergillus fumigatus FKBP12 apo protein in P212121 space group
Descriptor: FK506-binding protein 1A, SULFATE ION
Authors:Tonthat, N.K, Schumacher, M.A.
Deposit date:2016-01-28
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
6FNT
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BU of 6fnt by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with pyrrolidinohistidine
Descriptor: Histidine N-alpha-methyltransferase, Pyrrolidinohistidine
Authors:Vit, A, Blankenfeldt, W, Seebeck, F.P.
Deposit date:2018-02-05
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
8U53
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BU of 8u53 by Molmil
Mechanically activated ion channel OSCA3.1 in nanodiscs
Descriptor: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CSC1-like protein ERD4, PALMITIC ACID, ...
Authors:Jojoa-Cruz, S, Lee, W.H, Ward, A.B.
Deposit date:2023-09-12
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-guided mutagenesis of OSCAs reveals differential activation to mechanical stimuli.
Elife, 12, 2024
6LYM
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BU of 6lym by Molmil
Crystal structure of D657A mutant of formylglycinamidine synthetase
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Sharma, N, Tanwar, A.S, Anand, R.
Deposit date:2020-02-14
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
8RT3
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BU of 8rt3 by Molmil
Hen Egg White Lysozyme Crystallized with Bioassembler in Space Microgravity Conditions
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:MacCarthy, C, Koudan, E.V, Petrov, S.V, Levin, A.A, Khesuani, Y.D, Borshchevskiy, V.
Deposit date:2024-01-25
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Hen Egg White Lysozyme Crystallized with Bioassembler in Space Microgravity Conditions
To Be Published
6FOI
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BU of 6foi by Molmil
Human Cys57/156Ala superoxide dismutase-1 (SOD1), as isolated.
Descriptor: SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Wright, G.S.A, Sala, F.A, Antonyuk, S.V, Garratt, R.C, Hasnain, S.S.
Deposit date:2018-02-07
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular recognition and maturation of SOD1 by its evolutionarily destabilised cognate chaperone hCCS.
Plos Biol., 17, 2019
4YJX
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BU of 4yjx by Molmil
The structure of Agrobacterium tumefaciens ClpS2 bound to L-phenylalaninamide
Descriptor: ATP-dependent Clp protease adapter protein ClpS 2, PHENYLALANINE AMIDE, SULFATE ION
Authors:Stein, B, Grant, R.A, Sauer, R.T, Baker, T.A.
Deposit date:2015-03-03
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Structural Basis of an N-Degron Adaptor with More Stringent Specificity.
Structure, 24, 2016
7JUQ
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BU of 7juq by Molmil
Crystal Structure of KSR2:MEK1 in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
6BOQ
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BU of 6boq by Molmil
Human APE1 substrate complex with an A/A mismatch adjacent the THF
Descriptor: 1,2-ETHANEDIOL, 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase
Authors:Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S.
Deposit date:2017-11-20
Release date:2018-08-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches.
Acta Crystallogr D Struct Biol, 74, 2018
7JUR
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BU of 7jur by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUX
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BU of 7jux by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7XZR
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BU of 7xzr by Molmil
Crystal structure of TNIK-AMPPNP-thiopeptide TP15 complex
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Hamada, K, Vinogradov, A.A, Zhang, Y, Chang, J.S, Nishimura, H, Goto, Y, Onaka, H, Suga, H, Ogata, K, Sengoku, T.
Deposit date:2022-06-03
Release date:2022-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:De Novo Discovery of Thiopeptide Pseudo-natural Products Acting as Potent and Selective TNIK Kinase Inhibitors.
J.Am.Chem.Soc., 144, 2022
5D2H
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BU of 5d2h by Molmil
4-oxalocrotonate decarboxylase from Pseudomonas putida G7 - complexed with magnesium and alpha-ketoglutarate
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-oxalocrotonate decarboxylase NahK, ...
Authors:Guimaraes, S.L, Nagem, R.A.P.
Deposit date:2015-08-05
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Crystal Structures of Apo and Liganded 4-Oxalocrotonate Decarboxylase Uncover a Structural Basis for the Metal-Assisted Decarboxylation of a Vinylogous beta-Keto Acid.
Biochemistry, 55, 2016
5JCA
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BU of 5jca by Molmil
NADP(H) bound NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, Adams, M.W, Peters, J.W.
Deposit date:2016-04-14
Release date:2017-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic insights into energy conservation by flavin-based electron bifurcation.
Nat. Chem. Biol., 13, 2017
5D2R
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BU of 5d2r by Molmil
Inhibitor Bound Cell Shape Determinant Protein Csd4 from Helicobacter pylori
Descriptor: (2R,6R)-2-{[(R)-[(3R)-3-(acetylamino)-3-carboxypropyl](hydroxy)phosphoryl]methyl}-6-aminoheptanedioic acid, Conserved hypothetical secreted protein, IODIDE ION, ...
Authors:Chan, A.C, Murphy, M.E.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Bacterial Cell Shape-Determining Inhibitor.
Acs Chem.Biol., 11, 2016
5UZ3
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BU of 5uz3 by Molmil
Solution Structure of a DNA Dodecamer with 5-methylcytosine at the 9th position and 8-oxoguanine at the 10th position
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(DMC)P*(8OG)P*CP*G)-3')
Authors:Gruber, D.R, Hoppins, J.J, Miears, H.L, Endutkin, A.V, Zharkov, D.O, Smirnov, S.L.
Deposit date:2017-02-24
Release date:2017-05-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Oxidative damage to epigenetically methylated sites affects DNA stability, dynamics and enzymatic demethylation.
Nucleic Acids Res., 46, 2018

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