6FIB
 
 | | Structure of human 4-1BB ligand | | Descriptor: | Tumor necrosis factor ligand superfamily member 9, Tumor necrosis factor ligand superfamily member 9,4-1BBL -CH/CL fusion, Tumor necrosis factor ligand superfamily member 9,Uncharacterized protein | | Authors: | Joseph, C, Claus, C, Ferrara, C, von Hirschheydt, T, Prince, C, Funk, D, Klein, C, Benz, J. | | Deposit date: | 2018-01-17 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Tumor-targeted 4-1BB agonists for combination with T cell bispecific antibodies as off-the-shelf therapy.
Sci Transl Med, 11, 2019
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4PCV
 | | The structure of BdcA (YjgI) from E. coli | | Descriptor: | BdcA (YjgI), PENTAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | | Authors: | Page, R, Peti, W, Lord, D. | | Deposit date: | 2014-04-16 | | Release date: | 2015-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | BdcA, a protein important for Escherichia coli biofilm dispersal, is a short-chain dehydrogenase/reductase that binds specifically to NADPH.
Plos One, 9, 2014
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4PCA
 | | X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | | Authors: | Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-04-14 | | Release date: | 2014-06-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
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4P91
 | | Crystal structure of the nogo-receptor-2 (27-330) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Reticulon-4 receptor-like 2 | | Authors: | Semavina, M, Saha, N, Kolev, M, Goldgur, Y, Giger, R, Himanen, J, Nikolov, D. | | Deposit date: | 2014-04-01 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the Nogo-receptor-2.
Protein Sci., 20, 2011
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4PCL
 | | X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion. | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ... | | Authors: | Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2014-04-15 | | Release date: | 2014-06-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
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4PE1
 | | Crystal Structure of Calcium-loaded S100B bound to SC124 | | Descriptor: | CALCIUM ION, DIETHYLCARBAMODITHIOIC ACID, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, A.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.576 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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6FVL
 | | DNA polymerase sliding clamp from Escherichia coli with bound P7 peptide | | Descriptor: | Beta sliding clamp, GLYCEROL, P7 peptide, ... | | Authors: | Martiel, I, Andre, C, Olieric, V, Guichard, G, Burnouf, D. | | Deposit date: | 2018-03-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.975 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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6GDE
 | | DIHYDROOROTASE FROM AQUIFEX AEOLICUS STANDARD (P,T) | | Descriptor: | Dihydroorotase, ZINC ION | | Authors: | Prange, T, Girard, E, Herve, G, Evans, D. | | Deposit date: | 2018-04-23 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Pressure-induced activation of latent dihydroorotase from Aquifex aeolicus as revealed by high pressure protein crystallography.
Febs J., 286, 2019
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4PE0
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4434 | | Descriptor: | 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione, CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Pierce, P.D, Wilder, P.T, Neau, D, Toth, E.A, Weber, D.J. | | Deposit date: | 2014-04-22 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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6FSX
 | | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Mehrabi, P, Mueller-werkmeiser, H, Tellkamp, F, Jha, A, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E, Miller, D. | | Deposit date: | 2018-02-20 | | Release date: | 2018-10-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
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6DEY
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4RDZ
 | | Crystal structure of VmoLac in P64 space group | | Descriptor: | COBALT (II) ION, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M. | | Deposit date: | 2014-09-20 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
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6G9V
 | | Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+ | | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ... | | Authors: | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
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6GBJ
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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4TN0
 | | Crystal Structure of the C-terminal Periplasmic Domain of Phosphoethanolamine Transferase EptC from Campylobacter jejuni | | Descriptor: | UPF0141 protein yjdB, ZINC ION | | Authors: | Fage, C.D, Brown, D, Boll, J.M, Keatinge-Clay, A.T, Trent, M.S. | | Deposit date: | 2014-06-02 | | Release date: | 2014-10-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic study of the phosphoethanolamine transferase EptC required for polymyxin resistance and motility in Campylobacter jejuni.
Acta Crystallogr.,Sect.D, 70, 2014
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6G9W
 | | Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP | | Descriptor: | UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | | Authors: | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor
RSC Chem. Biol., 2020
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6FVN
 | | DNA polymerase sliding clamp from Mycobacterium tuberculosis with bound P7 peptide | | Descriptor: | Beta sliding clamp, P7 peptide | | Authors: | Martiel, I, Andre, C, Olieric, V, Guichard, G, Burnouf, D. | | Deposit date: | 2018-03-04 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.142 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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6GBK
 | | Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J. | | Deposit date: | 2018-04-15 | | Release date: | 2018-10-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
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4TR8
 | | Crystal structure of DNA polymerase sliding clamp from Pseudomonas aeruginosa | | Descriptor: | DNA polymerase III subunit beta, SODIUM ION | | Authors: | Olieric, V, Burnouf, D, Ennifar, E, Wolff, P. | | Deposit date: | 2014-06-15 | | Release date: | 2014-09-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins.
J.Med.Chem., 57, 2014
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6E4A
 | | Crystal structure of human BRD4(1) in complex with CN750 | | Descriptor: | 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL | | Authors: | Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K. | | Deposit date: | 2018-07-17 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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4TR6
 | | Crystal structure of DNA polymerase sliding clamp from Bacillus subtilis | | Descriptor: | DNA polymerase III subunit beta, SODIUM ION | | Authors: | Burnouf, D, Olieric, V, Ennifar, E, Wolff, P. | | Deposit date: | 2014-06-14 | | Release date: | 2014-09-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Differential Modes of Peptide Binding onto Replicative Sliding Clamps from Various Bacterial Origins.
J.Med.Chem., 57, 2014
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6G2S
 | | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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4RP7
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6G2R
 | | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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6FLH
 | | Monomeric Human Cu,Zn Superoxide dismutase, SOD1 7+7, apo form | | Descriptor: | GLYCEROL, SULFATE ION, Superoxide dismutase [Cu-Zn] | | Authors: | Wang, H, Yang, F, Logan, D, Oliveberg, M. | | Deposit date: | 2018-01-25 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | The Cost of Long Catalytic Loops in Folding and Stability of the ALS-Associated Protein SOD1.
J.Am.Chem.Soc., 140, 2018
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