4NCY
 
 | | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | | Descriptor: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | Authors: | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | Deposit date: | 2013-10-25 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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6WBS
 | | Human CFTR first nucleotide binding domain with dF508/V510D | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | | Deposit date: | 2020-03-27 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.857 Å) | | Cite: | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
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8R1I
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6VLO
 | | X-ray Structure of the R141 Sugar 4,6-dehydratase from Acanthamoeba polyphaga Minivirus | | Descriptor: | NICKEL (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative dTDP-D-glucose 4,6-dehydratase, ... | | Authors: | Thoden, J.B, Ferek, J.D, Holden, H.M. | | Deposit date: | 2020-01-24 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Biochemical analysis of a sugar 4,6-dehydratase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 29, 2020
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8SSO
 | | AurA bound to danusertib and inhibiting monobody Mb2 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Aurora kinase A, ... | | Authors: | Ludewig, H, Kim, C, Kern, D. | | Deposit date: | 2023-05-08 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A biophysical framework for double-drugging kinases.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4NJP
 | | Proteolysis inside the membrane is a rate-governed reaction not Driven by substrate affinity | | Descriptor: | Rhomboid protease GlpG | | Authors: | Dickey, S.W, Baker, R.P, Cho, S, Urban, S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity.
Cell(Cambridge,Mass.), 155, 2013
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4LQX
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4NAU
 | | S. aureus CoaD with Inhibitor | | Descriptor: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | | Authors: | Lahiri, S.D. | | Deposit date: | 2013-10-22 | | Release date: | 2014-03-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
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4NJN
 | | Crystal Structure of E.coli GlpG at pH 4.5 | | Descriptor: | Rhomboid protease GlpG | | Authors: | Dickey, S.W, Baker, R.P, Cho, S, Urban, S. | | Deposit date: | 2013-11-11 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Proteolysis inside the Membrane Is a Rate-Governed Reaction Not Driven by Substrate Affinity.
Cell(Cambridge,Mass.), 155, 2013
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4OHR
 | | Crystal structure of MilB from Streptomyces rimofaciens | | Descriptor: | CMP/hydroxymethyl CMP hydrolase | | Authors: | Zhao, G, Zhang, Y, Liu, G, Wu, G, He, X. | | Deposit date: | 2014-01-17 | | Release date: | 2014-06-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the N-glycosidase MilB in complex with hydroxymethyl CMP reveals its Arg23 specifically recognizes the substrate and controls its entry
Nucleic Acids Res., 42, 2014
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8TUP
 | | Cryo-EM structure of the human MRS2 magnesium channel under Mg2+-free condition | | Descriptor: | MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial | | Authors: | Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D. | | Deposit date: | 2023-08-16 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
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1HZO
 | | STRUCTURE OF CLASS A CEPHALOSPORINASE FROM PROTEUS VULGARIS K1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-LACTAMASE | | Authors: | Nukaga, M, Crichlow, G.V, Kuzin, A.P, Mayama, K, Knox, J.R. | | Deposit date: | 2001-01-25 | | Release date: | 2002-04-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of an extended-spectrum class A beta-lactamase from Proteus vulgaris K1.
J.Mol.Biol., 317, 2002
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8TUL
 | | Cryo-EM structure of the human MRS2 magnesium channel under Mg2+ condition | | Descriptor: | MAGNESIUM ION, Magnesium transporter MRS2 homolog, mitochondrial | | Authors: | Lai, L.T.F, Balaraman, J, Zhou, F, Matthies, D. | | Deposit date: | 2023-08-16 | | Release date: | 2023-09-13 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms.
Nat Commun, 14, 2023
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5LJO
 | | E. coli BAM complex (BamABCDE) by cryoEM | | Descriptor: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ... | | Authors: | Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J. | | Deposit date: | 2016-07-19 | | Release date: | 2016-10-12 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
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7POM
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3LZQ
 | | Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 1.41 A at pH 9 | | Descriptor: | COPPER (II) ION, MANGANESE (II) ION, P19 protein, ... | | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | | Deposit date: | 2010-03-01 | | Release date: | 2010-07-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
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5WLV
 | | Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | | Descriptor: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | | Deposit date: | 2017-07-27 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
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5WTR
 | | Crystal structure of a prokaryotic TRIC channel in 0.5 M KCl | | Descriptor: | 1,2-ETHANEDIOL, POTASSIUM ION, TRISTEAROYLGLYCEROL, ... | | Authors: | Ou, X.M, Wang, L.F, Yang, H.T, Liu, X.Y, Liu, Z.F. | | Deposit date: | 2016-12-14 | | Release date: | 2017-04-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ion and water binding sites inside an occluded hourglass pore of a TRIC channel
BMC BIOL., 2017
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1I2Y
 | | 1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM | | Descriptor: | DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMINE | | Authors: | Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M. | | Deposit date: | 2001-02-12 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
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3LZR
 | | Crystal Structure Analysis of Manganese treated P19 protein from Campylobacter jejuni at 2.73 A at pH 9 and Manganese peak wavelength (1.893 A) | | Descriptor: | COPPER (II) ION, MANGANESE (II) ION, P19 protein, ... | | Authors: | Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P. | | Deposit date: | 2010-03-01 | | Release date: | 2010-07-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
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5LH8
 | | Trypsin inhibitors for the treatment of pancreatitis - cpd 8 | | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. | | Deposit date: | 2016-07-08 | | Release date: | 2016-08-10 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Trypsin inhibitors for the treatment of pancreatitis.
Bioorg.Med.Chem.Lett., 26, 2016
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5DT1
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2ZHB
 | | Complex structure of AFCCA with tRNAminiDUC | | Descriptor: | CCA-adding enzyme, SULFATE ION, tRNA (34-MER) | | Authors: | Toh, Y, Tomita, K. | | Deposit date: | 2008-02-01 | | Release date: | 2008-08-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Molecular basis for maintenance of fidelity during the CCA-adding reaction by a CCA-adding enzyme
Embo J., 27, 2008
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5DZW
 | | Protocadherin alpha 4 extracellular cadherin domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protocadherin alpha-4, ... | | Authors: | Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L. | | Deposit date: | 2015-09-26 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
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6E0D
 | | X-ray structure of a complex of thaumatin with xylene cyanol | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, L(+)-TARTARIC ACID, Thaumatin I | | Authors: | McPherson, A. | | Deposit date: | 2018-07-06 | | Release date: | 2018-09-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Investigation into the binding of dyes within protein crystals.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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