5QAP
 
 | | OXA-48 IN COMPLEX WITH COMPOUND 21a | | Descriptor: | 1,2-ETHANEDIOL, 3-(3-acetamidophenyl)benzoic acid, Beta-lactamase, ... | | Authors: | Lund, B.A, Leiros, H.K.S. | | Deposit date: | 2017-07-11 | | Release date: | 2018-01-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design.
Eur J Med Chem, 145, 2018
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6D4I
 | | Crystal Structure of a Fc Fragment of Rhesus macaque (Macaca mulatta) IgG2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Fc fragment of IgG2 | | Authors: | Gohain, N, Tolbert, W.D, Pazgier, M. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | From Rhesus macaque to human: structural evolutionary pathways for immunoglobulin G subclasses.
Mabs, 11, 2019
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7OXV
 | | Crystal structure of depupylase Dop in the Dop-loop-inserted state | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Depupylase, ... | | Authors: | Cui, H. | | Deposit date: | 2021-06-23 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.394 Å) | | Cite: | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
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7U6O
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1XD5
 | | Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata | | Descriptor: | SULFATE ION, antifungal protein GAFP-1 | | Authors: | Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C. | | Deposit date: | 2004-09-04 | | Release date: | 2005-01-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin
J.Biol.Chem., 280, 2005
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7UAK
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7XJO
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-18 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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7XGJ
 | | Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | | Descriptor: | CALCIUM ION, GZS-ASN-ASP-ALA-LEU-IML-EOE-NH2, Matrix metalloproteinase-2, ... | | Authors: | Kamitani, M, Mima, M, Takeuchi, T. | | Deposit date: | 2022-04-05 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
J.Med.Chem., 65, 2022
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1LF9
 | | CRYSTAL STRUCTURE OF BACTERIAL GLUCOAMYLASE COMPLEXED WITH ACARBOSE | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, GLUCOAMYLASE, SULFATE ION | | Authors: | Aleshin, A.E, Feng, P.-H, Honzatko, R.B, Reilly, P.J. | | Deposit date: | 2002-04-10 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and evolution of prokaryotic glucoamylase
J.Mol.Biol., 327, 2003
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4CCL
 | | X-Ray structure of E. coli ycfD | | Descriptor: | 50S RIBOSOMAL PROTEIN L16 ARGININE HYDROXYLASE, MANGANESE (II) ION, SULFATE ION | | Authors: | McDonough, M.A, Ho, C.H, Kershaw, N.J, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-04-30 | | Last modified: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.596 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4MO4
 | | Crystal structure of AnmK bound to AMPPCP | | Descriptor: | Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Bacik, J.P, Mark, B.L. | | Deposit date: | 2013-09-11 | | Release date: | 2014-01-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
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7OV7
 | | The hybrid cage formed between Pizza6-S and Cu(II)-substituted trilacunary Keggin | | Descriptor: | COPPER (II) ION, POTASSIUM ION, Pizza6-S, ... | | Authors: | Vandebroek, L, Noguchi, H, Anyushin, A, Van Meervelt, L, Voet, A.R.D, Parac-Vogt, T.N. | | Deposit date: | 2021-06-14 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hierarchical Self-Assembly of a Supramolecular Protein-Metal Cage Encapsulating a Polyoxometalate Guest
Cryst.Growth Des., 2022
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6DY7
 | | WDR5 in complex with a WIN site inhibitor | | Descriptor: | DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ... | | Authors: | Phan, J, Wang, F, Fesik, S.W. | | Deposit date: | 2018-07-01 | | Release date: | 2019-03-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
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6E1Z
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4RMO
 | | Crystal Structure of the CptIN Type III Toxin-Antitoxin System from Eubacterium rectale | | Descriptor: | CALCIUM ION, CptN Toxin, RNA (45-MER) | | Authors: | Rao, F, Voss, J.E, Short, F.L, Luisi, B.F. | | Deposit date: | 2014-10-21 | | Release date: | 2015-09-30 | | Last modified: | 2015-11-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Co-evolution of quaternary organization and novel RNA tertiary interactions revealed in the crystal structure of a bacterial protein-RNA toxin-antitoxin system.
Nucleic Acids Res., 43, 2015
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5HOG
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6E23
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6E22
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4AGU
 | | CRYSTAL STRUCTURE OF THE HUMAN CDKL1 KINASE DOMAIN | | Descriptor: | CYCLIN-DEPENDENT KINASE-LIKE 1, N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | | Authors: | Canning, P, Sharpe, T.D, Allerston, C, Savitsky, P, Pike, A.C.W, Muniz, J.R.C, Chaikuad, A, Kuo, K, Burgess-Brown, N, Ayinampudi, V, Zhang, Y, Thangaratnarajah, C, Ugochukwu, E, Vollmar, M, Krojer, T, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Knapp, S, Bullock, A. | | Deposit date: | 2012-01-31 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | CDKL Family Kinases Have Evolved Distinct Structural Features and Ciliary Function.
Cell Rep, 22, 2018
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6CDM
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5KOX
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5KUM
 | | Crystal Structure of Inward Rectifier Kir2.2 K62W Mutant In Complex with PIP2 | | Descriptor: | ATP-sensitive inward rectifier potassium channel 12, DECYL-BETA-D-MALTOPYRANOSIDE, POTASSIUM ION, ... | | Authors: | Lee, S.-J, Ren, F, Heyman, S, Yuan, P, Nichols, C.G. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids.
J.Gen.Physiol., 148, 2016
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2VCO
 | | Crystal structure of the fimbrial adhesin FimH in complex with its high-mannose epitope | | Descriptor: | NICKEL (II) ION, PROTEIN FIMH, SULFATE ION, ... | | Authors: | Wellens, A, Garofalo, C, Nguyen, H, Wyns, L, De Greve, H, Hultgren, S.J, Bouckaert, J. | | Deposit date: | 2007-09-26 | | Release date: | 2008-05-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the Fimh-Oligomannose-3 Complex.
Plos One, 3, 2008
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6SKX
 | | Structure of Reductive Aminase from Neosartorya fumigata | | Descriptor: | Oxidoreductase, putative | | Authors: | Sharma, M, Mangas-Sanchez, J, Turner, N.J, Grogan, G. | | Deposit date: | 2019-08-16 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases.
Chem Sci, 11, 2020
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5IAB
 | | Caspase 3 V266D | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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