6DHB
 
 | | Crystal structure of the human TIM-3 with bound Calcium | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, CALCIUM ION, ... | | Authors: | Gandhi, A.K, Kim, W.M, Huang, Y.H, Bonsor, D, Sundberg, E, Sun, Z.-Y, Petsko, G.A, Kuchroo, V, Blumberg, R.S. | | Deposit date: | 2018-05-19 | | Release date: | 2018-12-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High resolution X-ray and NMR structural study of human T-cell immunoglobulin and mucin domain containing protein-3.
Sci Rep, 8, 2018
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4OA3
 | | Crystal structure of the BA42 protein from BIZIONIA ARGENTINENSIS | | Descriptor: | CALCIUM ION, PROTEIN BA42 | | Authors: | Otero, L.H, Klinke, S, Aran, M, Pellizza, L, Goldbaum, F.A, Cicero, D. | | Deposit date: | 2014-01-03 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain.
Proteins, 82, 2014
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6DKW
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4OR8
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6E8L
 | | Crystal Structure of Alkyl hydroperoxidase D (AhpD) from Streptococcus pneumoniae (Strain D39/ NCTC 7466) | | Descriptor: | Alkyl hydroperoxide reductase AhpD | | Authors: | Meng, Y, Davies, J, North, R, Coombes, D, Horne, C, Hampton, M, Dobson, R. | | Deposit date: | 2018-07-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-function analyses of alkylhydroperoxidase D fromStreptococcus pneumoniaereveal an unusual three-cysteine active site architecture.
J.Biol.Chem., 295, 2020
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4PPK
 | | Crystal structure of eCGP123 T69V variant at pH 7.5 | | Descriptor: | Monomeric Azami Green | | Authors: | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Crystal Structure and Properties of Phanta, a Weakly Fluorescent Photochromic GFP-Like Protein.
Plos One, 10, 2015
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6EII
 | | The crystal structure of CK2alpha in complex with compound 18 | | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-19 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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4PE4
 | | Crystal Structure of Calcium-loaded S100B bound to SC1475 | | Descriptor: | 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol, CALCIUM ION, 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: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.178 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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6ENQ
 | | Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) | | Descriptor: | 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Boubia, B, Poupardin, O, Barth, M, Amaudrut, J, Broqua, P, Tallandier, M, Zeyer, D. | | Deposit date: | 2017-10-06 | | Release date: | 2018-03-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, Synthesis, and Evaluation of a Novel Series of Indole Sulfonamide Peroxisome Proliferator Activated Receptor (PPAR) alpha / gamma / delta Triple Activators: Discovery of Lanifibranor, a New Antifibrotic Clinical Candidate.
J. Med. Chem., 61, 2018
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4PPJ
 | | Crystal structure of Phanta, a weakly fluorescent photochromic GFP-like protein. ON state | | Descriptor: | Monomeric Azami Green | | Authors: | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-Ray Crystal Structure and Properties of Phanta, a Weakly Fluorescent Photochromic GFP-Like Protein.
Plos One, 10, 2015
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4PPL
 | | Crystal structure of eCGP123 H193Q variant at pH 7.5 | | Descriptor: | Monomeric Azami Green | | Authors: | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | | Deposit date: | 2014-02-27 | | Release date: | 2015-04-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-Ray Crystal Structure and Properties of Phanta, a Weakly Fluorescent Photochromic GFP-Like Protein.
Plos One, 10, 2015
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6EKK
 | | Crystal structure of GEF domain of DENND 1A in complex with Rab GTPase Rab35-GDP bound state. | | Descriptor: | 1,2-ETHANEDIOL, DENN domain-containing protein 1A, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Srikannathasan, V, Szykowska, A, Tallant, C, Strain-Damerell, C, Kopec, J, Kupinska, K, Mukhopadhyay, S, Gavin, M, Wang, D, Chalk, R, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Huber, K. | | Deposit date: | 2017-09-26 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structure of DENND1A-RAB35 complex with GDP bound state.
To be published
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6EG5
 | | The structure of SB-1-202-tubulin complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | | Authors: | Banerjee, A.K, Wang, Y, Chen, H, Miller, D, Li, W. | | Deposit date: | 2018-08-18 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The structure of SB-1-202/SB-2-204-tubulin complex
To Be Published
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6F3B
 | | Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor | | Descriptor: | 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Ferraroni, M, Supuran, C.T, Chiapponi, D, Bozdag, M. | | Deposit date: | 2017-11-28 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
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6FAG
 | | Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea inhibitor | | Descriptor: | 1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | | Deposit date: | 2017-12-15 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J.Med.Chem., 61, 2018
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6FGM
 | | The NMR solution structure of the peptide AC12 from Hypsiboas raniceps | | Descriptor: | ALA-CYS-PHE-LEU-THR-ARG-LEU-GLY-THR-TYR-VAL-CYS | | Authors: | Popov, C.S.F.C, Simas, B.S, Goodfellow, B.J, Bocca, A.L, Andrade, P.B, Pereira, D, Valentao, P, Pereira, P.J.B, Rodrigues, J.E, Veloso Jr, P.H.H, Rezende, T.M.B. | | Deposit date: | 2018-01-11 | | Release date: | 2019-01-09 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Host-defense peptides AC12, DK16 and RC11 with immunomodulatory activity isolated from Hypsiboas raniceps skin secretion.
Peptides, 113, 2019
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6FAF
 | | Crystal structure of human carbonic anhydrase I in complex with the 3-(2,5-dimethylphenyl)-1-(2-hydroxy-5-sulfamoylphenyl)urea inhibitor | | Descriptor: | 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | | Deposit date: | 2017-12-15 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
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6FD3
 | | Thiophosphorylated PAK3 kinase domain | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sorrell, F.J, Wang, D, von Delft, F, Bountra, C, Edwards, A.M, Elkins, J.M. | | Deposit date: | 2017-12-21 | | Release date: | 2018-01-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Solution structures and biophysical analysis of full-length group A PAKs reveal they are monomeric and auto-inhibited incis.
Biochem.J., 476, 2019
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4PE7
 | | Crystal Structure of Calcium-loaded S100B bound to SC1982 | | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, CALCIUM ION, 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: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.652 Å) | | Cite: | Covalent Small Molecule Inhibitors of Ca(2+)-Bound S100B.
Biochemistry, 53, 2014
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6FVO
 | | Mutant DNA polymerase sliding clamp from Mycobacterium tuberculosis with bound P7 peptide | | Descriptor: | Beta sliding clamp, CALCIUM ION, 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 (2.689 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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6FS3
 | | Phosphotriesterase PTE_A53_1 | | Descriptor: | (2~{S})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | | Deposit date: | 2018-02-19 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of Bacterail Phosphotriesterase variant with high catalytic activity towards organophosphate nerve agents developed by use of structure-based design and molecular evolution
To Be Published
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4RHP
 | | Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043 | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial | | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2014-10-02 | | Release date: | 2014-10-22 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6FVM
 | | Mutant DNA polymerase sliding clamp from Escherichia coli with bound P7 peptide | | Descriptor: | Beta sliding clamp, CALCIUM ION, GLYCEROL, ... | | 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 (1.631 Å) | | Cite: | Peptide Interactions on Bacterial Sliding Clamps.
Acs Infect Dis., 2019
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6FWS
 | | Structure of DinG in complex with ssDNA and ADPBeF | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DinG, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Cheng, K, Wigley, D. | | Deposit date: | 2018-03-07 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | DNA translocation mechanism of an XPD family helicase.
Elife, 7, 2018
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4RE0
 | | Crystal structure of VmoLac in P622 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 (2.35 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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