2SEM
 
 | | SEM5 SH3 DOMAIN COMPLEXED WITH PEPTOID INHIBITOR | | Descriptor: | PROTEIN (SEX MUSCLE ABNORMAL PROTEIN 5), PROTEIN (SH3 PEPTOID INHIBITOR) | | Authors: | Nguyen, J.T, Turck, C.W, Cohen, F.E, Zuckermann, R.N, Lim, W.A. | | Deposit date: | 1998-11-02 | | Release date: | 1999-01-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploiting the basis of proline recognition by SH3 and WW domains: design of N-substituted inhibitors.
Science, 282, 1998
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1IVH
 | | STRUCTURE OF HUMAN ISOVALERYL-COA DEHYDROGENASE AT 2.6 ANGSTROMS RESOLUTION: STRUCTURAL BASIS FOR SUBSTRATE SPECIFICITY | | Descriptor: | COENZYME A PERSULFIDE, FLAVIN-ADENINE DINUCLEOTIDE, ISOVALERYL-COA DEHYDROGENASE | | Authors: | Tiffany, K.A, Roberts, D.L, Wang, M, Paschke, R, Mohsen, A.-W.A, Vockley, J, Kim, J.J.P. | | Deposit date: | 1997-05-15 | | Release date: | 1998-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human isovaleryl-CoA dehydrogenase at 2.6 A resolution: structural basis for substrate specificity,.
Biochemistry, 36, 1997
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3DB8
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 041 | | Descriptor: | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4-c]pyridin-3-yl)phenyl]propan-1-ol, Polo-like kinase 1 | | Authors: | Elling, R.A, Hanan, E.J, Lew, W, Romanowski, M.J. | | Deposit date: | 2008-05-30 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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7SG8
 | | [T-T] DNA mismatch in a self-assembling rhombohedral lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Vecchioni, S, Lu, B, Bernfeld, W, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.71 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
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7SGA
 | | [C-S] DNA mismatch in a self-assembling rhombohedral lattice | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*CP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*(IMC)P*AP*CP*A)-3'), DNA (5'-D(P*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Vecchioni, S, Lu, B, Bernfeld, W, Seeman, N.C, Sha, R, Ohayon, Y.P. | | Deposit date: | 2021-10-05 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction.
Adv Mater, 2023
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3DFL
 | | Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid | | Descriptor: | 4-carbamimidamidobenzoic acid, Prostasin | | Authors: | Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. | | Deposit date: | 2008-06-12 | | Release date: | 2008-10-14 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human prostasin, a target for the regulation of hypertension.
J.Biol.Chem., 283, 2008
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4BI4
 | | Structure and function of amidase toxin - antitoxin combinations associated with the type VI secretion system of Serratia marcescens. | | Descriptor: | GLYCEROL, SSP1 C50A MUTANT | | Authors: | Srikannathasan, V, English, G, Bui, N.K, Trunk, K, Rourke, P.E.F.O, Rao, V.A, Vollmer, W, Coulthurst, S.J, Hunter, W.N. | | Deposit date: | 2013-04-09 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural Basis for Type Vi Secreted Peptidoglycan Dl-Endopeptidase Function, Specificity and Neutralization in Serratia Marcescens
Acta Crystallogr.,Sect.D, 69, 2013
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1S1S
 | | Crystal Structure of ZipA in complex with indoloquinolizin 10b | | Descriptor: | Cell division protein zipA, N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2H)-yl]propyl}propane-2-sulfonamide | | Authors: | Jennings, L.D, Foreman, K.W, Rush III, T.S, Tsao, D.H, Mosyak, L, Li, Y, Sukhdeo, M.N, Ding, W, Dushin, E.G, Kenny, C.H, Moghazeh, S.L, Petersen, P.J, Ruzin, A.V, Tuckman, M, Sutherland, A.G. | | Deposit date: | 2004-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction
BIOORG.MED.CHEM.LETT., 14, 2004
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3DLJ
 | | Crystal structure of human carnosine dipeptidase 1 | | Descriptor: | Beta-Ala-His dipeptidase, SULFATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Dobrovetsky, E, Seitova, A, He, H, Tempel, W, Kozieradzki, I, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Bochkarev, A, Cossar, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-27 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of human carnosine dipeptidase 1.
To be Published
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3DN1
 | | Chloropentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant | | Descriptor: | 1-chloro-2,3,4,5,6-pentafluorobenzene, 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, ... | | Authors: | Liu, L, Matthews, B.W. | | Deposit date: | 2008-07-01 | | Release date: | 2008-11-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
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1IGZ
 | | Crystal Structure of Linoleic acid Bound in the Cyclooxygenase Channel of Prostaglandin Endoperoxide H Synthase-1. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ... | | Authors: | Malkowski, M.G, Thuresson, E.D, Smith, W.L, Garavito, R.M. | | Deposit date: | 2001-04-18 | | Release date: | 2001-12-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of eicosapentaenoic and linoleic acids in the cyclooxygenase site of prostaglandin endoperoxide H synthase-1.
J.Biol.Chem., 276, 2001
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4BJ3
 | | Integrin alpha2 I domain E318W-collagen complex | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GFOGER PEPTIDE, ... | | Authors: | Carafoli, F, Hamaia, S.W, Bihan, D, Hohenester, E, Farndale, R.W. | | Deposit date: | 2013-04-16 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.042 Å) | | Cite: | An Activating Mutation Reveals a Second Binding Mode of the Integrin Alpha2 I Domain to the Gfoger Motif in Collagens.
Plos One, 8, 2013
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1SHW
 | | EphB2 / EphrinA5 Complex Structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ... | | Authors: | Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W. | | Deposit date: | 2004-02-26 | | Release date: | 2004-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling
Nat.Neurosci., 7, 2004
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4AYC
 | | RNF8 RING domain structure | | Descriptor: | CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE RNF8, GLYCEROL, ... | | Authors: | Mattiroli, F, Vissers, J.H.A, Van Dijk, W.J, Ikpa, P, Citterio, E, Vermeulen, W, Marteijn, J.A, Sixma, T.K. | | Deposit date: | 2012-06-20 | | Release date: | 2012-09-26 | | Last modified: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Rnf168 Ubiquitinates K13-15 on H2A/H2Ax to Drive DNA Damage Signaling
Cell(Cambridge,Mass.), 150, 2012
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4BB5
 | | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | | Descriptor: | 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | | Deposit date: | 2012-09-20 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Free-Wilson and Structural Approaches to Co-Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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4BB6
 | | Free-Wilson and Structural Approaches to Co-optimising Human and Rodent Isoform Potency for 11b-Hydroxysteroid Dehydrogenase Type 1 11b-HSD1 Inhibitors | | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | | Authors: | Goldberg, F.W, Leach, A.G, Scott, J.S, Snelson, W.L, Groombridge, S.D, Donald, C.S, Bennett, S.N.L, Bodin, C, Morentin Gutierrez, P, Gyte, A.C. | | Deposit date: | 2012-09-20 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Free-Wilson and Structural Approaches to Co- Optimising Human and Rodent Isoform Potency for 11Beta-Hydroxysteroid Dehydrogenase Type 1 (11Beta-Hsd1) Inhibitors
J.Med.Chem., 55, 2012
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1SQO
 | | Substituted 2-Naphthamidine Inhibitors of Urokinase | | Descriptor: | 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE, SULFATE ION, Urokinase-type plasminogen activator | | Authors: | Wendt, M.D, Geyer, A, McClellan, W.J, Rockway, T.W, Weitzberg, M, Zhao, X, Mantei, R, Stewart, K, Nienaber, V, Klinghofer, V, Giranda, V.L. | | Deposit date: | 2004-03-19 | | Release date: | 2004-04-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Interaction with the S1beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
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2TDD
 | | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | | Deposit date: | 1993-04-05 | | Release date: | 1993-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate.
Biochemistry, 32, 1993
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1SJY
 | | Crystal Structure of NUDIX HYDROLASE DR1025 FROM DEINOCOCCUS RADIODURANS | | Descriptor: | MutT/nudix family protein | | Authors: | Ranatunga, W, Hill, E.E, Mooster, J.L, Holbrook, E.L, Schulze-Gahmen, U, Xu, W, Bessman, M.J, Brenner, S.E, Holbrook, S.R, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2004-03-04 | | Release date: | 2004-05-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes.
J.Mol.Biol., 339, 2004
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1S4Y
 | | Crystal structure of the activin/actrIIb extracellular domain | | Descriptor: | Activin receptor type IIB precursor, Inhibin beta A chain | | Authors: | Greenwald, J, Vega, M.E, Allendorph, G.P, Fischer, W.H, Vale, W, Choe, S, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2004-01-19 | | Release date: | 2004-08-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Flexible Activin Explains the Membrane-Dependent Cooperative Assembly of TGF-beta Family Receptors.
Mol.Cell, 15, 2004
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2TBD
 | | SV40 T ANTIGEN DNA-BINDING DOMAIN, NMR, 30 STRUCTURES | | Descriptor: | SV40 T ANTIGEN | | Authors: | Luo, X, Sanford, D.G, Bullock, P.A, Bachovchin, W.W. | | Deposit date: | 1997-01-09 | | Release date: | 1997-04-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the origin DNA-binding domain of SV40 T-antigen.
Nat.Struct.Biol., 3, 1996
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1IU5
 | | X-ray Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus | | Descriptor: | FE (III) ION, rubredoxin | | Authors: | Chatake, T, Kurihara, K, Tanaka, I, Tsyba, I, Bau, R, Jenney, F.E, Adams, M.W.W, Niimura, N. | | Deposit date: | 2002-02-27 | | Release date: | 2002-08-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A neutron crystallographic analysis of a rubredoxin mutant at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
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1IU6
 | | Neutron Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus | | Descriptor: | FE (III) ION, rubredoxin | | Authors: | Chatake, T, Kurihara, K, Tanaka, I, Tsyba, I, Bau, R, Jenney, F.E, Adams, M.W.W, Niimura, N. | | Deposit date: | 2002-02-27 | | Release date: | 2002-08-27 | | Last modified: | 2023-12-27 | | Method: | NEUTRON DIFFRACTION (1.6 Å) | | Cite: | A neutron crystallographic analysis of a rubredoxin mutant at 1.6 A resolution.
Acta Crystallogr.,Sect.D, 60, 2004
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1SOO
 | | ADENYLOSUCCINATE SYNTHETASE INHIBITED BY HYDANTOCIDIN 5'-MONOPHOSPHATE | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, BETA-MERCAPTOETHANOL, HYDANTOCIDIN-5'-PHOSPHATE, ... | | Authors: | Cowan-Jacob, S.W. | | Deposit date: | 1996-05-07 | | Release date: | 1997-09-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The mode of action and the structure of a herbicide in complex with its target: binding of activated hydantocidin to the feedback regulation site of adenylosuccinate synthetase.
Proc.Natl.Acad.Sci.USA, 93, 1996
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3DMZ
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