7ZBF
 
 | | Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus | | Descriptor: | Iripin-4 serpin, NICKEL (II) ION | | Authors: | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
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4HE9
 | | Crystal Structure of HIV-1 protease mutants I54M complexed with inhibitor GRL-0519 | | Descriptor: | (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, HIV-1 protease, ... | | Authors: | Shen, C.H, Zhang, H, Weber, I.T. | | Deposit date: | 2012-10-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease.
J.Med.Chem., 56, 2013
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1GBJ
 | | ALPHA-LYTIC PROTEASE WITH MET 190 REPLACED BY ALA | | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION | | Authors: | Mace, J.E, Agard, D.A. | | Deposit date: | 1995-09-06 | | Release date: | 1996-01-29 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic and structural characterization of mutations of glycine 216 in alpha-lytic protease: a new target for engineering substrate specificity.
J.Mol.Biol., 254, 1995
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7Z5L
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1GBC
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7Z5Q
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7ZA0
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2W9P
 | | Crystal Structure of Potato Multicystatin | | Descriptor: | MULTICYSTATIN | | Authors: | Nissen, M.S, Kumar, G.N, Youn, B, Knowles, D.B, Lam, K.S, Ballinger, W.J, Knowles, N.R, Kang, C. | | Deposit date: | 2009-01-28 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Characterization of Solanum Tuberosum Multicystatin and its Structural Comparison with Other Cystatins.
Plant Cell, 21, 2009
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7Z6D
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1GBE
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1GBH
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4HGF
 | | Crystal structure of P450 BM3 5F5K heme domain variant complexed with styrene | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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4L8G
 | | Crystal Structure of K-Ras G12C, GDP-bound | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | Deposit date: | 2013-06-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.521 Å) | | Cite: | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4GZT
 | | N2 neuraminidase D151G mutant of A/Tanzania/205/2010 H3N2 in complex with oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, X, Wilson, I.A. | | Deposit date: | 2012-09-06 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Influenza virus neuraminidases with reduced enzymatic activity that avidly bind sialic Acid receptors.
J.Virol., 86, 2012
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3ZPT
 | | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors | | Descriptor: | CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate | | Authors: | Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M. | | Deposit date: | 2013-03-01 | | Release date: | 2013-11-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
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4LHT
 | | Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Madrona, Y, Poulos, T.L. | | Deposit date: | 2013-07-01 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.137 Å) | | Cite: | P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
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4H2L
 | | Deer mouse hemoglobin in hydrated format | | Descriptor: | Alpha-globin, Beta globin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Inoguchi, N, Oshlo, J.R, Natarajan, C, Weber, R.E, Fago, A, Storz, J.F, Moriyama, H. | | Deposit date: | 2012-09-12 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Deer mouse hemoglobin exhibits a lowered oxygen affinity owing to mobility of the E helix.
Acta Crystallogr.,Sect.F, 69, 2013
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7Z9Z
 | | Mutant L39Y of recombinant bovine beta-lactoglobulin in complex with pramocaine | | Descriptor: | Beta-lactoglobulin, CHLORIDE ION, Pramocaine, ... | | Authors: | Loch, J.I, Kurpiewska, K, Bonarek, P. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | beta-Lactoglobulin variants as potential carriers of pramoxine: Comprehensive structural and biophysical studies.
J.Mol.Recognit., 36, 2023
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7ZAS
 | | Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus | | Descriptor: | CHLORIDE ION, Iripin-4 serpin | | Authors: | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | Deposit date: | 2022-03-22 | | Release date: | 2023-03-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
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4H3G
 | | Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile | | Descriptor: | 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Mandal, M. | | Deposit date: | 2012-09-13 | | Release date: | 2012-11-07 | | Last modified: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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2WHW
 | | Selective oxidation of carbolide C-H bonds by engineered macrolide P450 monooxygenase | | Descriptor: | CYCLOTRIDECYL 3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSIDE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Li, S, Chaulagain, M.R, Knauff, A.R, Podust, L.M, Montgomery, J, Sherman, D.H. | | Deposit date: | 2009-05-07 | | Release date: | 2009-10-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Selective Oxidation of Carbolide C-H Bonds by an Engineered Macrolide P450 Mono-Oxygenase.
Proc.Natl.Acad.Sci.USA, 106, 2009
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4BS2
 | | NMR structure of human TDP-43 tandem RRMs in complex with UG-rich RNA | | Descriptor: | 5'-R(*GP*UP*GP*UP*GP*AP*AP*UP*GP*AP*AP*UP)-3', TAR DNA-BINDING PROTEIN 43 | | Authors: | Lukavsky, P.J, Daujotyte, D, Tollervey, J.R, Ule, J, Stuani, C, Buratti, E, Baralle, F.E, Damberger, F.F, Allain, F.H.T. | | Deposit date: | 2013-06-06 | | Release date: | 2013-11-13 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Molecular Basis of Ug-Rich RNA Recognition by the Human Splicing Factor Tdp-43
Nat.Struct.Mol.Biol., 20, 2013
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7ZAP
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4KXH
 | | The X-ray crystal structure of a dimeric variant of human pancreatic ribonuclease | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Pica, A, Merlino, A, Mazzarella, L, Sica, F. | | Deposit date: | 2013-05-26 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Three-dimensional domain swapping and supramolecular protein assembly: insights from the X-ray structure of a dimeric swapped variant of human pancreatic RNase.
Acta Crystallogr.,Sect.D, 69, 2013
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4H5W
 | | HSC70 NBD with betaine | | Descriptor: | ACETATE ION, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ... | | Authors: | Stec, B. | | Deposit date: | 2012-09-19 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
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