1ZJI
 
 | | Aquifex aeolicus KDO8PS R106G mutant in complex with 2PGA and R5P | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, ... | | Authors: | Xu, X, Kona, F, Wang, J, Lu, J, Stemmler, T, Gatti, D.L. | | Deposit date: | 2005-04-28 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Catalytic and Conformational Cycle of Aquifex aeolicus KDO8P Synthase: Role of the L7 Loop
Biochemistry, 44, 2005
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4RWG
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1YXU
 | | Crystal Structure of Kinase Pim1 in Complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Kumar, A, Mandiyan, V, Suzuki, Y, Zhang, C, Rice, J, Tsai, J, Artis, D.R, Ibrahim, P, Bremer, R. | | Deposit date: | 2005-02-22 | | Release date: | 2005-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Crystal Structures of Proto-oncogene Kinase Pim1: A Target of Aberrant Somatic Hypermutations in Diffuse Large Cell Lymphoma.
J.Mol.Biol., 348, 2005
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2A0Z
 | | The molecular structure of toll-like receptor 3 ligand binding domain | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bell, J.K, Botos, I, Hall, P.R, Askins, J, Shiloach, J, Segal, D.M, Davies, D.R. | | Deposit date: | 2005-06-17 | | Release date: | 2005-08-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The molecular structure of the Toll-like receptor 3 ligand-binding domain
Proc.Natl.Acad.Sci.USA, 102, 2005
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1XYO
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1XCG
 | | Crystal Structure of Human RhoA in complex with DH/PH fragment of PDZRHOGEF | | Descriptor: | Rho guanine nucleotide exchange factor 11, Transforming protein RhoA | | Authors: | Derewenda, U, Oleksy, A, Stevenson, A.S, Korczynska, J, Dauter, Z, Somlyo, A.P, Otlewski, J, Somlyo, A.V, Derewenda, Z.S. | | Deposit date: | 2004-09-01 | | Release date: | 2004-12-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of RhoA in complex with the DH/PH fragment of PDZRhoGEF, an activator of the Ca(2+) sensitization pathway in smooth muscle
Structure, 12, 2004
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1XJ1
 | | 3D solution structure of the C-terminal cysteine-rich domain of the VHv1.1 polydnaviral gene product | | Descriptor: | cysteine-rich omega-conotoxin homolog VHv1.1 | | Authors: | Einerwold, J, Jaseja, J, Hapner, K, Webb, B, Copie, V. | | Deposit date: | 2004-09-22 | | Release date: | 2004-10-05 | | Last modified: | 2011-08-10 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the carboxyl-terminal cysteine-rich domain of the VHv1.1 polydnaviral gene product: comparison with other cystine knot structural folds
Biochemistry, 40, 2001
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2L6S
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Canales-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Standker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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2A98
 | | Crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate 3-kinase C | | Authors: | Hallberg, B.M, Ogg, D, Ehn, M, Graslund, S, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Persson, C, Sagemark, J, Schuler, H, Stenmark, P, Thorsell, A.-G, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-07-11 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C
To be Published
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4O1G
 | | MTB adenosine kinase in complex with gamma-Thio-ATP | | Descriptor: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | | Authors: | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | | Deposit date: | 2013-12-15 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
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2ABI
 | | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone | | Descriptor: | DESOXYCORTICOSTERONE, Mineralocorticoid receptor | | Authors: | Huyet, J, Pinon, G.-M, Rochel, M, Mayer, C, Rafestin-Oblin, M.-E, Fagart, J. | | Deposit date: | 2005-07-15 | | Release date: | 2006-07-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of the human mineralocorticoid receptor ligand-binding domain bound to deoxycorticosterone
To be published
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1IIQ
 | | CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR | | Descriptor: | GLYCEROL, N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-glutaminyl-L-phenylalaninamide, PROTEASE RETROPEPSIN | | Authors: | Dohnalek, J, Hasek, J, Duskova, J, Petrokova, H, Hradilek, M, Soucek, M, Konvalinka, J, Brynda, J, Sedlacek, J, Fabry, M. | | Deposit date: | 2001-04-24 | | Release date: | 2002-04-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor.
J.Med.Chem., 45, 2002
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2A4H
 | | Solution structure of Sep15 from Drosophila melanogaster | | Descriptor: | Selenoprotein Sep15 | | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | | Deposit date: | 2005-06-28 | | Release date: | 2005-12-13 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
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2A2P
 | | Solution structure of SelM from Mus musculus | | Descriptor: | Selenoprotein M | | Authors: | Ferguson, A.D, Labunskyy, V.M, Fomenko, D.E, Chelliah, Y, Amezcua, C.A, Rizo, J, Gladyshev, V.N, Deisenhofer, J. | | Deposit date: | 2005-06-22 | | Release date: | 2005-12-06 | | Last modified: | 2021-10-20 | | Method: | SOLUTION NMR | | Cite: | NMR Structures of the Selenoproteins Sep15 and SelM Reveal Redox Activity of a New Thioredoxin-like Family.
J.Biol.Chem., 281, 2006
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2AXT
 | | Crystal Structure of Photosystem II from Thermosynechococcus elongatus | | Descriptor: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Loll, B, Kern, J, Saenger, W, Zouni, A, Biesiadka, J. | | Deposit date: | 2005-09-06 | | Release date: | 2005-12-27 | | Last modified: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Towards complete cofactor arrangement in the 3.0 A resolution structure of photosystem II
NATURE, 438, 2005
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2AW5
 | | Crystal structure of a human malic enzyme | | Descriptor: | NADP-dependent malic enzyme | | Authors: | Papagrigoriou, E, Berridge, G, Smee, C, Bray, J, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Gileadi, O, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-08-31 | | Release date: | 2005-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a human malic enzyme
To be published
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2AJG
 | | Crystal structure of the editing domain of E. coli leucyl-tRNA synthetase | | Descriptor: | Leucyl-tRNA synthetase | | Authors: | Liu, Y, Liao, J, Zhu, B, Wang, E.D, Ding, J. | | Deposit date: | 2005-08-01 | | Release date: | 2006-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the editing domain of Escherichia coli leucyl-tRNA synthetase and its complexes with Met and Ile reveal a lock-and-key mechanism for amino acid discrimination
Biochem.J., 394, 2006
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2L6T
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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1VK1
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001 | | Descriptor: | Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | Authors: | Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-04-13 | | Release date: | 2004-08-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | (NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
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7U60
 | | Integrin alaphIIBbeta3 complex with cRGDfV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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8GPJ
 | | HIV-1 Env X16 UFO in complex with 8ANC195 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 8ANC195 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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6L3V
 | | The R15G mutant of human Cx31.3/GJC3 connexin hemichannel | | Descriptor: | Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol | | Authors: | Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S. | | Deposit date: | 2019-10-15 | | Release date: | 2020-09-09 | | Last modified: | 2020-10-14 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel.
Sci Adv, 6, 2020
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7Y6D
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8GPG
 | | HIV-1 Env X18 UFO in complex with F6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, F6 Fab heavy chain, ... | | Authors: | Niu, J, Xu, Y.W, Yang, B. | | Deposit date: | 2022-08-26 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023
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6QU5
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12 | | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | | Deposit date: | 2019-02-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
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