6VFK
 
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6TTF
 | | PKM2 in complex with Compound 5 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 5-hydroxynaphthalene-1-sulfonamide, Pyruvate kinase PKM | | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | | Deposit date: | 2019-12-27 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
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6VFL
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6T4C
 | | Bovine enterovirus F3 in complex with glutathione | | Descriptor: | GLUTATHIONE, GLYCEROL, POTASSIUM ION, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | | Deposit date: | 2019-10-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
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3L9J
 | | Selection of a novel highly specific TNFalpha antagonist: Insight from the crystal structure of the antagonist-TNFalpha complex | | Descriptor: | MAGNESIUM ION, TNFalpha, Tumor necrosis factor, ... | | Authors: | Byla, P, Andersen, M.H, Thogersen, H.C, Gad, H.H, Hartmann, R. | | Deposit date: | 2010-01-05 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selection of a novel and highly specific TNF{alpha} antagonist: insight from the crystal structure of the antagonist-TNF{alpha} complex
J.Biol.Chem., 285, 2010
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1ELY
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102C) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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1EIJ
 | | NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615 | | Descriptor: | HYPOTHETICAL PROTEIN MTH1615 | | Authors: | Christendat, D, Booth, V, Gernstein, M, Arrowsmith, C.H, Edwards, A.M, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2000-02-25 | | Release date: | 2000-11-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
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1ELX
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (S102A) | | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | | Deposit date: | 1998-02-10 | | Release date: | 1998-05-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102.
J.Mol.Biol., 277, 1998
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1U15
 | | Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM) | | Descriptor: | Delta crystallin I | | Authors: | Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L. | | Deposit date: | 2004-07-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
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1F37
 | | STRUCTURE OF A THIOREDOXIN-LIKE [2FE-2S] FERREDOXIN FROM AQUIFEX AEOLICUS | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S], GLYCEROL | | Authors: | Yeh, A.P, Chatelet, C, Soltis, S.M, Kuhn, P, Meyer, J, Rees, D.C. | | Deposit date: | 2000-05-31 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of a thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus.
J.Mol.Biol., 300, 2000
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1U16
 | | Crystal structure of a duck-delta-crystallin-1 double loop mutant (DLM) in complex with sulfate | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Delta crystallin I, ... | | Authors: | Tsai, M, Sampaleanu, L.M, Greene, C, Creagh, L, Haynes, C, Howell, P.L. | | Deposit date: | 2004-07-14 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A duck delta1 crystallin double loop mutant provides insight into residues important for argininosuccinate lyase activity.
Biochemistry, 43, 2004
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1U6V
 | | NMR structure of a V3 (IIIB isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | | Descriptor: | V3 peptide | | Authors: | Rosen, O, Chill, J, Sharon, M, Kessler, N, Mester, B, Zolla-Pazner, S, Anglister, J. | | Deposit date: | 2004-08-02 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Induced fit in HIV-neutralizing antibody complexes: evidence for alternative conformations of the gp120 V3 loop and the molecular basis for broad neutralization.
Biochemistry, 44, 2005
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1F9O
 | | Crystal structure of the cellulase Cel48F from C. Cellulolyticum with the thiooligosaccharide inhibitor PIPS-IG3 | | Descriptor: | CALCIUM ION, ENDO-1,4-BETA-GLUCANASE F, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-4-iodophenyl 1,4-dithio-beta-D-glucopyranoside | | Authors: | Parsiegla, G, Reverbel-Leroy, C, Tardif, C, Belaich, J.P, Driguez, H, Haser, R. | | Deposit date: | 2000-07-11 | | Release date: | 2000-08-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of the Cellulase Cel48F in Complex with Inhibitors and Substrates Give Insights Into its Processive Action
Biochemistry, 39, 2000
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1U4J
 | | Crystal structure of a carbohydrate induced dimer of group I phospholipase A2 from Bungarus caeruleus at 2.1 A resolution | | Descriptor: | ACETIC ACID, CHLORIDE ION, SODIUM ION, ... | | Authors: | Singh, G, Gourinath, S, Sharma, S, Bhanumathi, S, Betzel, C, Srinivasan, A, Singh, T.P. | | Deposit date: | 2004-07-26 | | Release date: | 2004-08-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystal structure of a carbohydrate induced homodimer of phospholipase A(2) from Bungarus caeruleus at 2.1A resolution
J.Struct.Biol., 149, 2005
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1GJZ
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1G3O
 | | CRYSTAL STRUCTURE OF V19E MUTANT OF FERREDOXIN I | | Descriptor: | 7FE FERREDOXIN I, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | | Authors: | Stout, C.D, Burgess, B.K, Bonagura, C.A, Jung, Y.S. | | Deposit date: | 2000-10-24 | | Release date: | 2000-11-06 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Azotobacter vinelandii ferredoxin I: a sequence and structure comparison approach to alteration of [4Fe-4S]2+/+ reduction potential
J.Biol.Chem., 277, 2002
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1FUN
 | | SUPEROXIDE DISMUTASE MUTANT WITH LYS 136 REPLACED BY GLU, CYS 6 REPLACED BY ALA AND CYS 111 REPLACED BY SER (K136E, C6A, C111S) | | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | | Authors: | Lo, T.P, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 1998-07-23 | | Release date: | 1999-07-23 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Computational, pulse-radiolytic, and structural investigations of lysine-136 and its role in the electrostatic triad of human Cu,Zn superoxide dismutase.
Proteins, 29, 1997
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1G4B
 | | CRYSTAL STRUCTURES OF THE HSLVU PEPTIDASE-ATPASE COMPLEX REVEAL AN ATP-DEPENDENT PROTEOLYSIS MECHANISM | | Descriptor: | ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV | | Authors: | Wang, J, Song, J.J, Franklin, M.C, Kamtekar, S, Im, Y.J, Rho, S.H, Seong, I.S, Lee, C.S, Chung, C.H, Eom, S.H. | | Deposit date: | 2000-10-26 | | Release date: | 2001-02-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (7 Å) | | Cite: | Crystal structures of the HslVU peptidase-ATPase complex reveal an ATP-dependent proteolysis mechanism.
Structure, 9, 2001
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1G6B
 | | CRYSTAL STRUCTURE OF P47S MUTANT OF FERREDOXIN I | | Descriptor: | 7FE FERREDOXIN I, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | | Authors: | Stout, C.D, Burgess, B.K, Bonagura, C.A, Jung, Y.S. | | Deposit date: | 2000-11-03 | | Release date: | 2000-11-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Azotobacter vinelandii ferredoxin I: a sequence and structure comparison approach to alteration of [4Fe-4S]2+/+ reduction potential.
J.Biol.Chem., 277, 2002
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1FWA
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1UUI
 | | NMR structure of a synthetic small molecule, rbt158, bound to HIV-1 TAR RNA | | Descriptor: | 4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM, 5'-R(*GP*GP*CP*AP*GP*AP*UP*CP*UP*GP*AP*GP*CP* CP*UP*GP*GP*GP*AP*GP*CP*UP*CP*UP*CP*UP*GP*CP*C)-3' | | Authors: | Davis, B, Afshar, M, Varani, G, Karn, J, Murchie, A.I.H, Lentzen, G, Drysdale, M.J, Potter, A.J, Bower, J, Aboul-Ela, F. | | Deposit date: | 2003-12-19 | | Release date: | 2004-02-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Rational Design of Inhibitors of HIV-1 Tar RNA Through the Stabilisation of Electrostatic "Hot Spots"
J.Mol.Biol., 336, 2004
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1GH9
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1GWD
 | | Tri-iodide derivative of hen egg-white lysozyme | | Descriptor: | 1,2-ETHANEDIOL, CARBON MONOXIDE, CHLORIDE ION, ... | | Authors: | Evans, G, Bricogne, G. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-06 | | Last modified: | 2017-06-28 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
Acta Crystallogr.,Sect.D, 58, 2002
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1T8K
 | | Crystal Structure of apo acyl carrier protein from E. coli | | Descriptor: | Acyl carrier protein, IMIDAZOLE, ZINC ION | | Authors: | Qiu, X, Janson, C.A. | | Deposit date: | 2004-05-13 | | Release date: | 2004-09-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of apo acyl carrier protein and a proposal to engineer protein crystallization through metal ions.
Acta Crystallogr.,Sect.D, 60, 2004
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1TFE
 | | DIMERIZATION DOMAIN OF EF-TS FROM T. THERMOPHILUS | | Descriptor: | ELONGATION FACTOR TS | | Authors: | Jiang, Y, Nock, S, Nesper, M, Sprinzl, M, Sigler, P.B. | | Deposit date: | 1996-04-16 | | Release date: | 1996-11-08 | | Last modified: | 2018-03-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and importance of the dimerization domain in elongation factor Ts from Thermus thermophilus.
Biochemistry, 35, 1996
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