7OXZ
 
 | | VDR complex with a side-chain hydroxylated derivative of lithocholic acid | | Descriptor: | (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | | Authors: | Rochel, N. | | Deposit date: | 2021-06-23 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).
Bioorg.Chem., 115, 2021
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8CWP
 | | X-ray crystal structure of NTHi Protein D bound to a putative glycerol moiety | | Descriptor: | GLYCEROL, Glycerophosphoryl diester phosphodiesterase, SODIUM ION | | Authors: | Jones, S.P, Cook, K.H, Holmquist, M.L, Almekinder, L, DeLaney, A, Labbe, N, Perdue, J, Jackson, N, Charles, R, Pichichero, M, Kaur, R, Michel, L, Gleghorn, M.L. | | Deposit date: | 2022-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Vaccine target and carrier molecule nontypeable Haemophilus influenzae protein D dimerizes like the close Escherichia coli GlpQ homolog but unlike other known homolog dimers.
Proteins, 91, 2023
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1OID
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5EC5
 | | Crystal structure of lysenin pore | | Descriptor: | Lysenin, MERCURIBENZOIC ACID, MERCURY (II) ION | | Authors: | Podobnik, M, Savory, P, Rojko, N, Kisovec, M, Bruce, M, Jayasinghe, L, Anderluh, G. | | Deposit date: | 2015-10-20 | | Release date: | 2016-05-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of an invertebrate cytolysin pore reveals unique properties and mechanism of assembly.
Nat Commun, 7, 2016
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1I6U
 | | RNA-PROTEIN INTERACTIONS: THE CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN S8/RRNA COMPLEX FROM METHANOCOCCUS JANNASCHII | | Descriptor: | 16S RRNA FRAGMENT, 30S RIBOSOMAL PROTEIN S8P, SULFATE ION | | Authors: | Tishchenko, S, Nikulin, A, Fomenkova, N, Nevskaya, N, Nikonov, O, Dumas, P, Moine, H, Ehresmann, B, Ehresmann, C, Piendl, W, Lamzin, V, Garber, M, Nikonov, S. | | Deposit date: | 2001-03-05 | | Release date: | 2001-08-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Detailed analysis of RNA-protein interactions within the ribosomal protein S8-rRNA complex from the archaeon Methanococcus jannaschii.
J.Mol.Biol., 311, 2001
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1N3B
 | | Crystal Structure of Dephosphocoenzyme A kinase from Escherichia coli | | Descriptor: | Dephospho-CoA kinase, SULFATE ION | | Authors: | O'Toole, N, Barbosa, J.A.R.G, Li, Y, Hung, L.-W, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2002-10-25 | | Release date: | 2003-01-28 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a Trimeric Form of Dephosphocoenzyme A Kinase from Escherichia coli
Protein Sci., 12, 2003
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1JB0
 | | Crystal Structure of Photosystem I: a Photosynthetic Reaction Center and Core Antenna System from Cyanobacteria | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Jordan, P, Fromme, P, Witt, H.T, Klukas, O, Saenger, W, Krauss, N. | | Deposit date: | 2001-06-01 | | Release date: | 2001-08-01 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Three-dimensional Structure of Cyanobacterial Photosystem I at 2.5 A Resolution
NATURE, 411, 2001
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2OC1
 | | Structure of the HCV NS3/4A Protease Inhibitor CVS4819 | | Descriptor: | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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7BQS
 | | Solution NMR structure of fold-U Nomur; de novo designed protein with an asymmetric all-alpha topology | | Descriptor: | Nomur | | Authors: | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | | Deposit date: | 2020-03-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
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7BQR
 | | Solution NMR structure of fold-K Mussoc; de novo designed protein with an asymmetric all-alpha topology | | Descriptor: | Mussoc | | Authors: | Kobayashi, N, Nagashima, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | | Deposit date: | 2020-03-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
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4XZ2
 | | Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Kloos, M, Strater, N. | | Deposit date: | 2015-02-03 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
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2OBQ
 | | Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization | | Descriptor: | Hepatitis C virus, ZINC ION | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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2OC0
 | | Structure of NS3 complexed with a ketoamide inhibitor SCh491762 | | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-20 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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7OMM
 | | Cryo-EM structure of N. gonorhoeae LptDE in complex with ProMacrobodies (MBPs have not been built de novo) | | Descriptor: | LPS-assembly lipoprotein LptE, LPS-assembly protein LptD, ProMacrobody 21,Maltodextrin-binding protein, ... | | Authors: | Botte, M, Ni, D, Schenck, S, Zimmermann, I, Chami, M, Bocquet, N, Egloff, P, Bucher, D, Trabuco, M, Cheng, R.K.Y, Brunner, J.D, Seeger, M.A, Stahlberg, H, Hennig, M. | | Deposit date: | 2021-05-24 | | Release date: | 2022-05-04 | | Last modified: | 2022-05-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures of a LptDE transporter in complex with Pro-macrobodies offer insight into lipopolysaccharide translocation.
Nat Commun, 13, 2022
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7O01
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8C1J
 | | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_18-30 | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol, Protein arginine N-methyltransferase 2, RNA-binding protein Rsf1-like | | Authors: | Cura, V, Troffer-Charlier, N, Marechal, N, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2022-12-20 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Mus musculus Protein Arginine Methyltransferase 2 in complex with RSF1_18-30
To Be Published
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8RP8
 | | Structure of K2 Fab in complex with human CD47 ECD | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Laursen, M, Kelpsas, V, Rose, N. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
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8RPB
 | | Structure of S79 Fab in complex with IgV domain of human PD-L1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Programmed cell death 1 ligand 1, ... | | Authors: | Svensson, A, Kelpsas, V, Laursen, M, Rose, N. | | Deposit date: | 2024-01-15 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Structural analysis of light chain-driven bispecific antibodies targeting CD47 and PD-L1.
Mabs, 16, 2024
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6QFI
 | | Structure of human Mcl-1 in complex with BIM BH3 peptide | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | Deposit date: | 2019-01-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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1ML1
 | | PROTEIN ENGINEERING WITH MONOMERIC TRIOSEPHOSPHATE ISOMERASE: THE MODELLING AND STRUCTURE VERIFICATION OF A SEVEN RESIDUE LOOP | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Thanki, N, Zeelen, J.P, Mathieu, M, Jaenicke, R, Abagyan, R.A, Wierenga, R, Schliebs, W. | | Deposit date: | 1996-09-27 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Protein engineering with monomeric triosephosphate isomerase (monoTIM): the modelling and structure verification of a seven-residue loop.
Protein Eng., 10, 1997
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1M5T
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK | | Descriptor: | cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-07-10 | | Release date: | 2002-11-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic and biochemical studies of DivK reveal novel features of an essential response regulator in Caulobacter crescentus
J.Biol.Chem., 277, 2002
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1MB0
 | | CRYSTAL STRUCTURE OF THE RESPONSE REGULATOR DIVK AT PH 8.0 IN COMPLEX WITH MN2+ | | Descriptor: | MANGANESE (II) ION, cell division response regulator DivK | | Authors: | Guillet, V, Ohta, N, Cabantous, S, Newton, A, Samama, J.-P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-08-02 | | Release date: | 2002-12-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic and Biochemical Studies of DivK Reveal Novel Features of
an Essential Response Regulator in Caulobacter crescentus.
J.Biol.Chem., 277, 2002
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1KTP
 | | Crystal structure of c-phycocyanin of synechococcus vulcanus at 1.6 angstroms | | Descriptor: | BILIVERDINE IX ALPHA, C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, ... | | Authors: | Adir, N, Dobrovetsky, E, Lerner, N. | | Deposit date: | 2002-01-17 | | Release date: | 2002-03-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Refined structure of c-phycocyanin from the cyanobacterium Synechococcus vulcanus at 1.6 A: insights into the role of solvent molecules in thermal stability and co-factor structure
Biochim.Biophys.Acta, 1556, 2002
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2OBO
 | | Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776 | | Descriptor: | BETA-MERCAPTOETHANOL, HCV NS3 protease, HCV NS4A peptide, ... | | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | | Deposit date: | 2006-12-19 | | Release date: | 2007-07-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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1L2K
 | | Neutron Structure Determination of Sperm Whale Met-Myoglobin at 1.5A Resolution. | | Descriptor: | AMMONIUM CATION WITH D, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ostermann, A, Tanaka, I, Engler, N, Niimura, N, Parak, F.G. | | Deposit date: | 2002-02-21 | | Release date: | 2002-08-21 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.5 Å) | | Cite: | Hydrogen and deuterium in myoglobin as seen by a neutron structure determination at 1.5 A resolution.
Biophys.Chem., 95, 2002
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