1U34
 
 | | 3D NMR structure of the first extracellular domain of CRFR-2beta, a type B1 G-protein coupled receptor | | Descriptor: | Corticotropin releasing factor receptor 2 | | Authors: | Grace, C.R, Perrin, M.H, DiGruccio, M.R, Miller, C.L, Rivier, J.E, Vale, W.W, Riek, R. | | Deposit date: | 2004-07-20 | | Release date: | 2004-09-07 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | NMR structure and peptide hormone binding site of the first extracellular domain of a type B1 G protein-coupled receptor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1W5Q
 | | Stepwise introduction of zinc binding site into porphobilinogen synthase of Pseudomonas aeruginosa (mutations A129C, D131C, D139C, P132E, K229R) | | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D. | | Deposit date: | 2004-08-09 | | Release date: | 2005-01-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
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1NME
 | | Structure of Casp-3 with tethered salicylate | | Descriptor: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-09 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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6SC4
 | | Gamma-Carbonic Anhydrase from the Haloarchaeon Halobacterium sp. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CADMIUM ION, ... | | Authors: | Vogler, M, Karan, R, Renn, D, Vancea, A, Vielberg, V.-T, Groetzinger, S.W, DasSarma, P, Das Sarma, S, Eppinger, J, Groll, M, Rueping, M. | | Deposit date: | 2019-07-23 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure and Active Site Engineering of a Halophilic gamma-Carbonic Anhydrase.
Front Microbiol, 11, 2020
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6BF8
 | | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | | Descriptor: | Insulin-degrading enzyme | | Authors: | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | | Deposit date: | 2017-10-26 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme.
Elife, 7, 2018
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1NMS
 | | Caspase-3 tethered to irreversible inhibitor | | Descriptor: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-10 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1FU0
 | | CRYSTAL STRUCTURE ANALYSIS OF THE PHOSPHO-SERINE 46 HPR FROM ENTEROCOCCUS FAECALIS | | Descriptor: | PHOSPHOCARRIER PROTEIN HPR | | Authors: | Audette, G.F, Engelmann, R, Hengstenberg, W, Deutscher, J, Hayakawa, K, Quail, J.W, Delbaere, L.T.J. | | Deposit date: | 2000-09-13 | | Release date: | 2000-11-22 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The 1.9 A resolution structure of phospho-serine 46 HPr from Enterococcus faecalis.
J.Mol.Biol., 303, 2000
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1FW3
 | | OUTER MEMBRANE PHOSPHOLIPASE A FROM ESCHERICHIA COLI | | Descriptor: | OUTER MEMBRANE PHOSPHOLIPASE A | | Authors: | Snijder, H.J, Kingma, R.L, Kalk, K.H, Dekker, N, Egmond, M.R, Dijkstra, B.W. | | Deposit date: | 2000-09-21 | | Release date: | 2001-06-01 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural investigations of calcium binding and its role in activity and activation of outer membrane phospholipase A from Escherichia coli.
J.Mol.Biol., 309, 2001
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1C51
 | | PHOTOSYNTHETIC REACTION CENTER AND CORE ANTENNA SYSTEM (TRIMERIC), ALPHA CARBON ONLY | | Descriptor: | CHLOROPHYLL A, IRON/SULFUR CLUSTER, PHYLLOQUINONE, ... | | Authors: | Klukas, O, Schubert, W.D, Jordan, P, Krauss, N, Fromme, P, Witt, H.T, Saenger, W. | | Deposit date: | 1999-10-21 | | Release date: | 2000-03-31 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Photosystem I, an improved model of the stromal subunits PsaC, PsaD, and PsaE.
J.Biol.Chem., 274, 1999
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1FX7
 | | CRYSTAL STRUCTURE OF THE IRON-DEPENDENT REGULATOR (IDER) FROM MYCOBACTERIUM TUBERCULOSIS | | Descriptor: | COBALT (II) ION, IRON-DEPENDENT REPRESSOR IDER, SULFATE ION | | Authors: | Feese, M.D, Ingason, B.P, Goranson-Siekierke, J, Holmes, R.K, Hol, W.J.G. | | Deposit date: | 2000-09-25 | | Release date: | 2001-03-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the iron-dependent regulator from Mycobacterium tuberculosis at 2.0-A resolution reveals the Src homology domain 3-like fold and metal binding function of the third domain.
J.Biol.Chem., 276, 2001
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1G27
 | | CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497 | | Descriptor: | 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE, NICKEL (II) ION, POLYPEPTIDE DEFORMYLASE | | Authors: | Clements, J.M, Beckett, P, Brown, A, Catlin, C, Lobell, M, Palan, S, Thomas, W, Whittaker, M, Baker, P.J, Rodgers, H.F, Barynin, V, Rice, D.W, Hunter, M.G. | | Deposit date: | 2000-10-17 | | Release date: | 2001-10-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Antibiotic activity and characterization of BB-3497, a novel peptide deformylase inhibitor.
Antimicrob.Agents Chemother., 45, 2001
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1U6Q
 | | Substituted 2-Naphthamadine inhibitors of Urokinase | | Descriptor: | TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-2-CARBOXAMIDINE, Urokinase-type plasminogen activator | | Authors: | Bruncko, M, McClellan, W, Wendt, M.D, Sauer, D.R, Geyer, A, Dalton, C.R, Kaminski, M.K, Nienaber, V.L, Rockway, T.R, Giranda, V.L. | | Deposit date: | 2004-07-30 | | Release date: | 2004-10-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.
Bioorg.Med.Chem.Lett., 15, 2005
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1NSC
 | | INFLUENZA B VIRUS NEURAMINIDASE CAN SYNTHESIZE ITS OWN INHIBITOR | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Burmeister, W.P, Ruigrok, R.W.H, Cusack, S. | | Deposit date: | 1993-05-24 | | Release date: | 1993-10-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Influenza B virus neuraminidase can synthesize its own inhibitor.
Structure, 1, 1993
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5FMG
 | | Structure and function based design of Plasmodium-selective proteasome inhibitors | | Descriptor: | (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ... | | Authors: | Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-02 | | Last modified: | 2017-08-23 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016
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1W6T
 | | Crystal Structure Of Octameric Enolase From Streptococcus pneumoniae | | Descriptor: | ENOLASE, MAGNESIUM ION, NONAETHYLENE GLYCOL | | Authors: | Ehinger, S, Schubert, W.-D, Bergmann, S, Hammerschmidt, S, Heinz, D.W. | | Deposit date: | 2004-08-24 | | Release date: | 2005-08-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Plasmin(Ogen)-Binding Alpha-Enolase from Streptococcus Pneumoniae: Crystal Structure and Evaluation of Plasmin(Ogen)-Binding Sites
J.Mol.Biol., 343, 2004
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1W54
 | | Stepwise introduction of a zinc binding site into Porphobilinogen synthase from Pseudomonas aeruginosa (mutation D139C) | | Descriptor: | DELTA-AMINOLEVULINIC ACID DEHYDRATASE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Frere, F, Reents, H, Schubert, W.-D, Heinz, D.W, Jahn, D. | | Deposit date: | 2004-08-05 | | Release date: | 2005-01-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Tracking the Evolution of Porphobilinogen Synthase Metal Dependence in Vitro
J.Mol.Biol., 345, 2005
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1UBI
 | | SYNTHETIC STRUCTURAL AND BIOLOGICAL STUDIES OF THE UBIQUITIN SYSTEM. PART 1 | | Descriptor: | UBIQUITIN | | Authors: | Alexeev, D, Bury, S.M, Turner, M.A, Ogunjobi, O.M, Muir, T.W, Ramage, R, Sawyer, L. | | Deposit date: | 1994-02-03 | | Release date: | 1994-05-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic, structural and biological studies of the ubiquitin system: the total chemical synthesis of ubiquitin.
Biochem.J., 299, 1994
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6FCX
 | | Structure of human 5,10-methylenetetrahydrofolate reductase (MTHFR) | | Descriptor: | CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase, ... | | Authors: | Kopec, J, Bezerra, G.A, Oberholzer, A.E, Rembeza, E, Sorrell, F.J, Chalk, R, Borkowska, O, Ellis, K, Kupinska, K, Krojer, T, Burgess-Brown, N, Von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Froese, D.S, Baumgartner, M, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-12-21 | | Release date: | 2018-05-16 | | Last modified: | 2018-07-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the regulation of human 5,10-methylenetetrahydrofolate reductase by phosphorylation and S-adenosylmethionine inhibition.
Nat Commun, 9, 2018
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1G0J
 | | CRYSTAL STRUCTURE OF T4 LYSOZYME MUTANT T152S | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PROTEIN (LYSOZYME) | | Authors: | Xu, J, Baase, W.A, Quillin, M.L, Matthews, B.W. | | Deposit date: | 2000-10-06 | | Release date: | 2001-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and thermodynamic analysis of the binding of solvent at internal sites in T4 lysozyme.
Protein Sci., 10, 2001
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8UR9
 | | Crystal Structure of the SARS-CoV-2 Main Protease in Complex with Compound 61 | | Descriptor: | (5P)-5-[(1P,3M,3'P)-3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl]-1-methylpyrimidine-2,4(1H,3H)-dione, 3C-like proteinase nsp5 | | Authors: | Papini, C, Zhang, C.H, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2023-10-25 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Proof-of-concept studies with a computationally designed M pro inhibitor as a synergistic combination regimen alternative to Paxlovid.
Proc.Natl.Acad.Sci.USA, 121, 2024
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1UBS
 | | TRYPTOPHAN SYNTHASE (E.C.4.2.1.20) WITH A MUTATION OF LYS 87->THR IN THE B SUBUNIT AND IN THE PRESENCE OF LIGAND L-SERINE | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, SODIUM ION, ... | | Authors: | Rhee, S, Parris, K, Ahmed, S.A, Miles, E.W, Davies, D.R. | | Deposit date: | 1995-12-14 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of a mutant (betaK87T) tryptophan synthase alpha2beta2 complex with ligands bound to the active sites of the alpha- and beta-subunits reveal ligand-induced conformational changes.
Biochemistry, 36, 1997
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3NV5
 | | Crystal Structure of Cytochrome P450 CYP101D2 | | Descriptor: | Cytochrome P450, DI(HYDROXYETHYL)ETHER, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Bell, S.G, Wang, H, Zhou, W.H, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-07-08 | | Release date: | 2010-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The structure of CYP101D2 unveils a potential path for substrate entry into the active site
Biochem.J., 433, 2011
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1GC1
 | | HIV-1 GP120 CORE COMPLEXED WITH CD4 AND A NEUTRALIZING HUMAN ANTIBODY | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, CD4, ... | | Authors: | Kwong, P.D, Wyatt, R, Robinson, J, Sweet, R.W, Sodroski, J, Hendrickson, W.A. | | Deposit date: | 1998-06-15 | | Release date: | 1998-07-08 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of an HIV gp120 envelope glycoprotein in complex with the CD4 receptor and a neutralizing human antibody.
Nature, 393, 1998
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1GIN
 | | CRYSTAL STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH GDP, IMP, HADACIDIN, NO3-, AND MG2+. DATA COLLECTED AT 298K (PH 6.5). | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE, HADACIDIN, ... | | Authors: | Poland, B.W, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 1996-06-18 | | Release date: | 1997-02-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of adenylosuccinate synthetase from Escherichia coli complexed with GDP, IMP hadacidin, NO3-, and Mg2+.
J.Mol.Biol., 264, 1996
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5GOA
 | | Cryo-EM structure of RyR2 in open state | | Descriptor: | RyR2, ZINC ION | | Authors: | Peng, W, Wu, J.P, Yan, N. | | Deposit date: | 2016-07-26 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2
Science, 354, 2016
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