1FLY
 
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4BWG
 | | Structural basis of subtilase cytotoxin SubAB assembly | | Descriptor: | GLYCEROL, SUBA, SUBTILASE CYTOTOXIN, ... | | Authors: | Le Nours, J, Paton, A.W, Byres, E, Troy, S, Herdman, B.P, Johnson, M.D, Paton, J.C, Rossjohn, J, Beddoe, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of Subtilase Cytotoxin Subab Assembly.
J.Biol.Chem., 288, 2013
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7ZB9
 | | Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo) | | Descriptor: | CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, MAGNESIUM ION, ... | | Authors: | Bukhdruker, S, Varaksa, T, Marin, E, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2022-03-23 | | Release date: | 2023-01-11 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structural insights into the effects of glycerol on ligand binding to cytochrome P450.
Acta Crystallogr D Struct Biol, 79, 2023
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7YXU
 | | Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. | | Descriptor: | MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... | | Authors: | Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. | | Deposit date: | 2022-02-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
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2YH1
 | | Model of human U2AF65 tandem RRM1 and RRM2 domains with eight-site uridine binding | | Descriptor: | 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3', SPLICING FACTOR U2AF 65 KDA SUBUNIT | | Authors: | Mackereth, C.D, Madl, T, Simon, B, Zanier, K, Gasch, A, Sattler, M. | | Deposit date: | 2011-04-26 | | Release date: | 2011-07-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Multi-Domain Conformational Selection Underlies Pre-Mrna Splicing Regulation by U2Af
Nature, 475, 2011
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2ZP4
 | | Carboxylic ester hydrolase, single mutant h48n of bovine pancreatic pla2 enzyme | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kanaujia, S.P, Sekar, K. | | Deposit date: | 2008-06-27 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures and molecular-dynamics studies of three active-site mutants of bovine pancreatic phospholipase A(2)
Acta Crystallogr.,Sect.D, 64, 2008
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2ZQ2
 | | Exploring trypsin S3 pocket | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-08-03 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
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2ZSO
 | | Carbonmonoxy Sperm Whale Myoglobin at 100 K: Laser on [450 min] | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | Deposit date: | 2008-09-17 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin
Proc.Natl.Acad.Sci.USA, 106, 2009
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4C41
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4GWR
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2ZUH
 | | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297A) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... | | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | | Deposit date: | 2008-10-18 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant
to be published
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2ZV6
 | | Crystal structure of human squamous cell carcinoma antigen 1 | | Descriptor: | Serpin B3 | | Authors: | Zheng, B, Matoba, Y, Katagiri, C, Hibino, T, Sugiyama, M. | | Deposit date: | 2008-11-01 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of SCCA1 and insight about the interaction with JNK1
Biochem.Biophys.Res.Commun., 380, 2009
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4J67
 | | Crystal structure of Ribonuclease A soaked in 50% 1,6-Hexanediol: One of twelve in MSCS set | | Descriptor: | HEXANE-1,6-DIOL, Ribonuclease pancreatic, SULFATE ION | | Authors: | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | | Deposit date: | 2013-02-11 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | DRoP: A program for analysis of water structure on protein surfaces
to be published
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4JCG
 | | Recombinant wild type Nitrosomonas europaea cytochrome c552 | | Descriptor: | Cytochrome c-552, HEME C | | Authors: | Wedekind, J.E, Can, M, Krucinska, J, Bren, K.L. | | Deposit date: | 2013-02-21 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Characterization of Nitrosomonas europaea Cytochrome c-552 Variants with Marked Differences in Electronic Structure.
Chembiochem, 14, 2013
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2ZWO
 | | Crystal structure of Ca2 site mutant of Pro-S324A | | Descriptor: | CALCIUM ION, Tk-subtilisin | | Authors: | Takeuchi, Y, Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S. | | Deposit date: | 2008-12-17 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Requirement of a unique Ca(2+)-binding loop for folding of Tk-subtilisin from a hyperthermophilic archaeon.
Biochemistry, 48, 2009
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4C3V
 | | Extensive counter-ion interactions with subtilisin in aqueous medium, no Cs soak | | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN CARLSBERG, ... | | Authors: | Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J. | | Deposit date: | 2013-08-27 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium
Rsc Adv, 2014
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7Z9A
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, Isoform 2 of KH domain-containing, RNA-binding, ... | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-20 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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2ZA5
 | | Crystal Structure of human tryptase with potent non-peptide inhibitor | | Descriptor: | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 | | Authors: | Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. | | Deposit date: | 2007-10-02 | | Release date: | 2008-02-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
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4J9B
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4HED
 | | Zebrafish chemokine CXL1 | | Descriptor: | Uncharacterized protein | | Authors: | Rajasekaran, D, Fan, C, Meng, W, Pflugrath, J.W, Lolis, E.J. | | Deposit date: | 2012-10-03 | | Release date: | 2013-08-21 | | Last modified: | 2014-04-23 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural insight into the evolution of a new chemokine family from zebrafish.
Proteins, 82, 2014
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2ZBY
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R84A mutant) | | Descriptor: | Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugimoto, H, Shinkyo, R, Hayashi, K, Yoneda, S, Yamada, M, Kamakura, M, Ikushiro, S, Shiro, Y, Sakaki, T. | | Deposit date: | 2007-10-30 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of CYP105A1 (P450SU-1) in Complex with 1alpha,25-Dihydroxyvitamin D3
Biochemistry, 47, 2008
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4JNF
 | | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP | | Descriptor: | Hsp70 CHAPERONE DnaK | | Authors: | Qi, R, Sarbeng, E.B, Liu, Q, Le, K.Q, Xu, X, Xu, H, Yang, J, Wong, J.L, Vorvis, C, Hendrickson, W.A, Zhou, L, Liu, Q. | | Deposit date: | 2013-03-15 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.621 Å) | | Cite: | Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP.
Nat.Struct.Mol.Biol., 20, 2013
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4HEG
 | | Crystal Structure of HIV-1 protease mutants R8Q 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, HIV-1 protease | | Authors: | Zhang, H, Wang, Y.-F, Weber, I.T. | | Deposit date: | 2012-10-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.46 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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7Z9B
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ... | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-20 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.333 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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7Z6U
 | | Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | Descriptor: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2022-03-14 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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