4CDW
 
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4 | | Descriptor: | 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-06 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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2PL4
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2PPE
 | | Reduced H145A mutant of AfNiR exposed to NO | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ... | | Authors: | Tocheva, E.I, Murphy, M.E.P. | | Deposit date: | 2007-04-28 | | Release date: | 2008-01-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Stable copper-nitrosyl formation by nitrite reductase in either oxidation state
Biochemistry, 46, 2007
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1HNV
 | | STRUCTURE OF HIV-1 RT(SLASH)TIBO R 86183 COMPLEX REVEALS SIMILARITY IN THE BINDING OF DIVERSE NONNUCLEOSIDE INHIBITORS | | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | | Authors: | Das, K, Ding, J, Arnold, E. | | Deposit date: | 1995-03-30 | | Release date: | 1995-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors.
Nat.Struct.Biol., 2, 1995
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5DNR
 | | Aurora A Kinase in complex with ATP in space group P41212 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | | Authors: | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. | | Deposit date: | 2015-09-10 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
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1T7F
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a LxxLL motif | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, LxxLL motif peptide | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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1T7M
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a FxxYF motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-10 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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1T74
 | | Crystal structure of the androgen receptor ligand binding domain in complex with a WxxLF motif | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, ... | | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | | Deposit date: | 2004-05-07 | | Release date: | 2004-08-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004
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2PV9
 | | Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 4, Thrombin heavy chain, ... | | Authors: | Bah, A, Chen, Z, Bush-Pelc, L.A, Mathews, F.S, Di Cera, E. | | Deposit date: | 2007-05-09 | | Release date: | 2007-07-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of murine thrombin in complex with the extracellular fragments of murine protease-activated receptors PAR3 and PAR4.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4NRU
 | | Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative | | Descriptor: | 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase | | Authors: | Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M. | | Deposit date: | 2013-11-27 | | Release date: | 2014-10-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
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3PHT
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4AW6
 | | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION | | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | | Deposit date: | 2012-05-31 | | Release date: | 2012-07-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
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2GRF
 | | Crystal structure of Scapharca inaequivalvis HBI, M37V mutant in the absence of ligand | | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E. | | Deposit date: | 2006-04-24 | | Release date: | 2006-05-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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2FHX
 | | Pseudomonas aeruginosa SPM-1 metallo-beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, CHLORIDE ION, ... | | Authors: | Murphy, T.A, Catto, L.E, Halford, S.E, Hadfield, A.T, Minor, W, Walsh, T.R, Spencer, J. | | Deposit date: | 2005-12-27 | | Release date: | 2006-01-17 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Pseudomonas aeruginosa SPM-1 Provides Insights into Variable Zinc Affinity of Metallo-beta-lactamases.
J.Mol.Biol., 357, 2006
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4BA9
 | | The structural basis for the coordination of Y-family Translesion DNA Polymerases by Rev1 | | Descriptor: | DNA POLYMERASE KAPPA, DNA REPAIR PROTEIN REV1, MAGNESIUM ION, ... | | Authors: | Grummitt, C.G, Kilkenny, M.L, Frey, A, Roe, S.M, Oliver, A.W, Sale, J.E, Pearl, L.H. | | Deposit date: | 2012-09-12 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The Structural Basis for the Coordination of Y- Family Translesion DNA Polymerases by Rev1
To be Published
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2QBX
 | | EphB2/SNEW Antagonistic Peptide Complex | | Descriptor: | Ephrin type-B receptor 2, SULFATE ION, antagonistic peptide | | Authors: | Chrencik, J.E, Brooun, A, Recht, M.I, Nicola, G, Pasquale, E.B, Kuhn, P, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D) | | Deposit date: | 2007-06-18 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition.
J.Biol.Chem., 282, 2007
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4C0G
 | | Structure of the NOT-box domain of human CNOT3 | | Descriptor: | CCR4-NOT TRANSCRIPTION COMPLEX SUBUNIT 3 | | Authors: | Boland, A, Chen, Y, Raisch, T, Jonas, S, Izaurralde, E, Weichenrieder, O. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-09 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Assembly of the not Module of the Human Ccr4-not Complex
Nat.Struct.Mol.Biol., 20, 2013
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1SZX
 | | Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | | Deposit date: | 2004-04-06 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Role of hydrogen bonding in the active site of human manganese superoxide dismutase.
Biochemistry, 43, 2004
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7JG4
 | | Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid, SODIUM ION, ... | | Authors: | Wong-Roushar, J, Dann III, C.E. | | Deposit date: | 2020-07-18 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.455 Å) | | Cite: | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors
Bioorg.Med.Chem., 37, 2021
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4NTG
 | | Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.55 Angstrom resolution | | Descriptor: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, accelerated-cell-death 11 | | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | | Deposit date: | 2013-12-02 | | Release date: | 2014-02-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5505 Å) | | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels.
Cell Rep, 6, 2014
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222L
 | | GENERATING LIGAND BINDING SITES IN T4 LYSOZYME USING DEFICIENCY-CREATING SUBSTITUTIONS | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | | Authors: | Baldwin, E.P, Baase, W.A, Zhang, X.-J, Feher, V, Matthews, B.W. | | Deposit date: | 1997-06-25 | | Release date: | 1998-03-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Generation of ligand binding sites in T4 lysozyme by deficiency-creating substitutions.
J.Mol.Biol., 277, 1998
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2KPF
 | | Spatial structure of the dimeric transmembrane domain of glycophorin A in bicelles soluton | | Descriptor: | Glycophorin-A | | Authors: | Mineev, K.S, Bocharov, E.V, Goncharuk, M.V, Arseniev, A.S, Volynsky, P.E, Efremov, R.G. | | Deposit date: | 2009-10-13 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Dimeric structure of the transmembrane domain of glycophorin a in lipidic and detergent environments.
Acta Naturae, 3, 2011
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3U8M
 | | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) | | Descriptor: | 1-(6-bromopyridin-3-yl)-1,4-diazepane, Acetylcholine-binding protein, SULFATE ION | | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | | Deposit date: | 2011-10-17 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
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3D7V
 | | Crystal structure of Mcl-1 in complex with an Mcl-1 selective BH3 ligand | | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Lee, E.F, Czabotar, P.E, Colman, P.M, Fairlie, W.D. | | Deposit date: | 2008-05-22 | | Release date: | 2008-06-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | A novel BH3 ligand that selectively targets Mcl-1 reveals that apoptosis can proceed without Mcl-1 degradation.
J.Cell Biol., 180, 2008
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1M3E
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