7ULW
 
 | | CryoEM structure of human LACTB filament | | Descriptor: | Serine beta-lactamase-like protein LACTB, mitochondrial | | Authors: | Bennett, J.A, Steward, L.R, Aydin, H. | | Deposit date: | 2022-04-05 | | Release date: | 2022-12-07 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The structure of the human LACTB filament reveals the mechanisms of assembly and membrane binding.
Plos Biol., 20, 2022
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8DXG
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 5-(trifluoromethyl)pyridin-2-ol at W24 site | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, 5-(trifluoromethyl)pyridin-2-one, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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4YD3
 | | Endothiapepsin in complex with fragment 224 | | Descriptor: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stieler, M, Heine, A, Klebe, G. | | Deposit date: | 2015-02-20 | | Release date: | 2016-03-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.248 Å) | | Cite: | Crystallographic Fragment Screening of an Entire Library
To Be Published
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5KOK
 | | Pavine N-methyltransferase in complex with Tetrahydropapaverine and S-adenosylhomocysteine pH 7.25 | | Descriptor: | (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, (1~{S})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline, Pavine N-methyltransferase, ... | | Authors: | Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S. | | Deposit date: | 2016-06-30 | | Release date: | 2016-09-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
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7R2Z
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5GAT
 | | SOLUTION NMR STRUCTURE OF THE WILD TYPE DNA BINDING DOMAIN OF AREA COMPLEXED TO A 13BP DNA CONTAINING A CGATA SITE, 35 STRUCTURES | | Descriptor: | DNA (5'-D(*CP*AP*GP*CP*GP*AP*TP*AP*GP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*CP*TP*AP*TP*CP*GP*CP*TP*G)-3'), NITROGEN REGULATORY PROTEIN AREA, ... | | Authors: | Clore, G.M, Starich, M, Wikstrom, M, Gronenborn, A.M. | | Deposit date: | 1997-11-07 | | Release date: | 1998-01-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of a fungal AREA protein-DNA complex: an alternative binding mode for the basic carboxyl tail of GATA factors.
J.Mol.Biol., 277, 1998
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7R32
 | | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, delta104 variant, in complex with ADP (co-crystal), tetragonal crystal form | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Membrane-associated protein slr1513 | | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | | Deposit date: | 2022-02-06 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6FC7
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7K05
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6SCE
 | | Structure of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate | | Descriptor: | Uncharacterized protein, cyclic oligoadenylate | | Authors: | McMahon, S.A, Zhu, W, Graham, S, White, M.F, Gloster, T.M. | | Deposit date: | 2019-07-24 | | Release date: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure and mechanism of a Type III CRISPR defence DNA nuclease activated by cyclic oligoadenylate.
Nat Commun, 11, 2020
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6UT2
 | | 3D structure of the leiomodin/tropomyosin binding interface | | Descriptor: | Leiomodin-2, Tropomyosin alpha-1 chain chimeric peptide | | Authors: | Tolkatchev, D, Smith, G.E, Helms, G.L, Cort, J.R, Kostyukova, A.S. | | Deposit date: | 2019-10-29 | | Release date: | 2020-09-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Leiomodin creates a leaky cap at the pointed end of actin-thin filaments.
Plos Biol., 18, 2020
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5KLB
 | | Crystal structure of the CavAb voltage-gated calcium channel(wild-type, 2.7A) | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CALCIUM ION, ... | | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | | Deposit date: | 2016-06-23 | | Release date: | 2016-08-31 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs.
Nature, 537, 2016
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6ETM
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7R1L
 | | Clostridium thermocellum CtCBM50 structure in complex with beta-1,4-GlcNAc trisaccharide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Spore coat assembly protein SafA | | Authors: | Ribeiro, D.O, Costa, R, Palma, A.S, Carvalho, A.L. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Unravelling Clostridium thermocellum LysM domains: a molecular view on the cooperative recognition of chitin and peptidoglycan
To Be Published
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8AFK
 | | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin | | Descriptor: | Near-infrared fluorescent protein, PHYCOCYANOBILIN | | Authors: | Remeeva, A, Kovalev, K, Gushchin, I, Fonin, A, Turoverov, K, Stepanenko, O. | | Deposit date: | 2022-07-18 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Structure of iRFP variant C15S/N136R/V256C in complex with phycocyanobilin
To Be Published
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8AGM
 | | Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | | Deposit date: | 2022-07-20 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.966 Å) | | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65
To Be Published
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5T2F
 | | Structure of the FHA1 domain of Rad53 bound to the BRCT domain of Dbf4 | | Descriptor: | 1,2-ETHANEDIOL, DDK kinase regulatory subunit DBF4,Serine/threonine-protein kinase RAD53 chimeric protein | | Authors: | Guarne, A, Almawi, A.W, Matthews, L.A. | | Deposit date: | 2016-08-23 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | 'AND' logic gates at work: Crystal structure of Rad53 bound to Dbf4 and Cdc7.
Sci Rep, 6, 2016
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7R1N
 | | Crystal structure of the Tetrameric C-terminal Big_2-CBM56 domains from Paenibacillus illinoisensis (Bacillus circulans IAM1165) beta-1,3-glucanase H | | Descriptor: | Beta-1,3-glucanase bglH, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Najmudin, S, Venditto, I, Fontes, C.M.G.A, Bule, P. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.072 Å) | | Cite: | Structural and biochemical characterization of C-terminal Big_2-CBM56 domains of Paenibacillus illinoisensis IAM1165 beta-1,3-glucanase H and Paenibacillus sp CBM56
To be published
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7KCU
 | | Joint neutron/X-ray structure of Oxyferrous Dehaloperoxidase B | | Descriptor: | Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Carey, L.M, Ghiladi, R.A, Meilleur, F, Myles, D. | | Deposit date: | 2020-10-07 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-25 | | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | Cite: | Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
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7R31
 | | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803, C105A+C110A variant, in complex with ATP (co-crystal), tetragonal crystal form | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Membrane-associated protein slr1513, ... | | Authors: | Selim, K.A, Albrecht, R, Hartmann, M.D. | | Deposit date: | 2022-02-06 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Carbon signaling protein SbtB possesses atypical redox-regulated apyrase activity to facilitate regulation of bicarbonate transporter SbtA.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4RIF
 | | Landomycin Glycosyltransferase LanGT2, carbasugar substrate complex | | Descriptor: | 2'-deoxy-5'-O-[(R)-{[(R)-{[(1S,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3,4-dihydrothymidine, Glycosyl transferase homolog | | Authors: | Tam, H.K, Gerhardt, S, Breit, B, Bechthold, A, Einsle, O. | | Deposit date: | 2014-10-06 | | Release date: | 2015-01-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Characterization of O- and C-Glycosylating Variants of the Landomycin Glycosyltransferase LanGT2.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4YQQ
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6ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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8AII
 | | High Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine | | Descriptor: | ADENINE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase, ... | | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | | Deposit date: | 2022-07-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Int.J.Biol.Macromol., 250, 2023
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5G4O
 | | Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083 | | Descriptor: | CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION | | Authors: | Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J. | | Deposit date: | 2016-05-13 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
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