2KRI
 
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6OCV
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2HB2
 | | Structure of HIV protease 6X mutant in apo form | | Descriptor: | Protease | | Authors: | Heaslet, H, Tam, K, Elder, J.H, Stout, C.D. | | Deposit date: | 2006-06-13 | | Release date: | 2007-06-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
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4RUT
 | | crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid | | Descriptor: | (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. | | Deposit date: | 2014-11-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase.
J.Biol.Chem., 290, 2015
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3SWW
 | | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | | Authors: | Klei, H.E. | | Deposit date: | 2011-07-14 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
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5B4Y
 | | Crystal structure of the LA12 fragment of ApoER2 | | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor-related protein 8 | | Authors: | Nogi, T, Tabata, S, Hirai, H, Yasui, N, Takagi, J. | | Deposit date: | 2016-04-20 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the ectodomain from a LDLR close homologue in complex with its physiological ligand.
To Be Published
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1GUM
 | | HUMAN GLUTATHIONE TRANSFERASE A4-4 WITHOUT LIGANDS | | Descriptor: | PROTEIN (GLUTATHIONE TRANSFERASE A4-4) | | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | | Deposit date: | 1998-06-11 | | Release date: | 1999-01-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products
J.Mol.Biol., 288, 1999
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2P55
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3SX4
 | | Crystal structure of human dpp-iv in complex with sa-(+)-3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)- 2-methyl-5h-pyrrolo[3,4-b]pyridin-7(6h)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one, ... | | Authors: | Klei, H.E. | | Deposit date: | 2011-07-14 | | Release date: | 2011-10-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.
Bioorg.Med.Chem.Lett., 21, 2011
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2PC0
 | | Apo Wild-type HIV Protease in the open conformation | | Descriptor: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | | Authors: | Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D. | | Deposit date: | 2007-03-29 | | Release date: | 2007-06-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
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4K28
 | | 2.15 Angstrom resolution crystal structure of a shikimate dehydrogenase family protein from Pseudomonas putida KT2440 in complex with NAD+ | | Descriptor: | MANGANESE (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | | Authors: | Garcia, C, Peek, J, Petit, P, Christendat, D. | | Deposit date: | 2013-04-08 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Insights into the function of RifI2: structural and biochemical investigation of a new shikimate dehydrogenase family protein.
Biochim.Biophys.Acta, 1834, 2013
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1LV1
 | | Crystal Structure Analysis of the non-active site mutant of tethered HIV-1 protease to 2.1A resolution | | Descriptor: | HIV-1 protease | | Authors: | Kumar, M, Kannan, K.K, Hosur, M.V, Bhavesh, N.S, Chatterjee, A, Mittal, R, Hosur, R.V. | | Deposit date: | 2002-05-24 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Effects of remote mutation on the autolysis of HIV-1 PR: X-ray and NMR investigations.
Biochem.Biophys.Res.Commun., 294, 2002
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4AM1
 | | Crystal structure of the marine crustacean decapod shrimp (Litopenaeus vannamei) arginine kinase in the absence of substrate or ligands. | | Descriptor: | ARGININE KINASE | | Authors: | Lopez-Zavala, A.A, Sotelo-Mundo, R.R, Garcia-Orozco, K.D, Isac-Martinez, F, Brieba, L.G, Rudino-Pinera, E. | | Deposit date: | 2012-03-07 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystallization and X-Ray Diffraction Studies of Arginine Kinase from the White Pacific Shrimp Litopenaeus Vannamei.
Acta Crystallogr.,Sect.F, 68, 2012
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4H9G
 | | Probing EF-Tu with a very small brominated fragment library identifies the CCA pocket | | Descriptor: | 5-bromofuran-2-carboxylic acid, AMMONIUM ION, Elongation factor Tu-A, ... | | Authors: | Groftehauge, M.K, Therkelsen, M, Taaning, R.H, Skrydstrup, T, Morth, J.P, Nissen, P. | | Deposit date: | 2012-09-24 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
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6ABK
 | | Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with TeocLys | | Descriptor: | (2S)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Yanagisawa, T, Kuratani, M, Yokoyama, S. | | Deposit date: | 2018-07-22 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
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5ZRU
 | | Crystal structure of Agl-KA catalytic domain | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alpha-1,3-glucanase, CALCIUM ION, ... | | Authors: | Yano, S, Makabe, K. | | Deposit date: | 2018-04-25 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.833 Å) | | Cite: | Crystal structure of the catalytic unit of GH 87-type alpha-1,3-glucanase Agl-KA from Bacillus circulans.
Sci Rep, 9, 2019
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6AB0
 | | Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with pAmPyLys | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine, ... | | Authors: | Yanagisawa, T, Kuratani, M, Yokoyama, S. | | Deposit date: | 2018-07-19 | | Release date: | 2019-04-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | Structural Basis for Genetic-Code Expansion with Bulky Lysine Derivatives by an Engineered Pyrrolysyl-tRNA Synthetase.
Cell Chem Biol, 26, 2019
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3PXF
 | | CDK2 in complex with two molecules of 8-anilino-1-naphthalene sulfonate | | Descriptor: | 1,2-ETHANEDIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, Cell division protein kinase 2 | | Authors: | Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-09 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
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2XBB
 | | Nedd4 HECT:Ub complex | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE NEDD4, GLYCEROL, UBIQUITIN | | Authors: | Maspero, E, Cecatiello, V, Musacchio, A, Polo, S, Pasqualato, S. | | Deposit date: | 2010-04-08 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure of the Hect:Ubiquitin Complex and its Role in Ubiquitin Chain Elongation
Embo Rep., 12, 2011
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2OYP
 | | T Cell Immunoglobulin Mucin-3 Crystal Structure Revealed a Galectin-9-independent Binding Surface | | Descriptor: | Hepatitis A virus cellular receptor 2, SULFATE ION | | Authors: | Cao, E, Ramagopal, U.A, Fedorov, A.A, Fedorov, E.V, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2007-02-22 | | Release date: | 2007-04-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | T cell immunoglobulin mucin-3 crystal structure reveals a galectin-9-independent ligand-binding surface
Immunity, 26, 2007
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3LBG
 | | Urate oxidase complexed with 8-thio xanthine | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-thioxo-3,7,8,9-tetrahydro-1H-purine-2,6-dione, ... | | Authors: | Prange, T, Colloc'h, N, Gabison, L. | | Deposit date: | 2010-01-08 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
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3L9G
 | | Urate oxidase complexed with uric acid and chloride | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CHLORIDE ION, SODIUM ION, ... | | Authors: | Prange, T, Colloc'h, N, Gabison, L. | | Deposit date: | 2010-01-05 | | Release date: | 2010-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Near-atomic resolution structures of urate oxidase complexed with its substrate and analogues: the protonation state of the ligand.
Acta Crystallogr.,Sect.D, 66, 2010
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4GI5
 | | Crystal Structure Of a Putative quinone reductase from Klebsiella pneumoniae (Target PSI-013613) | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-08-08 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a quinone reductase from Klebsiella pneumoniae with bound FAD
to be published
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2ZQN
 | | Crystal structure of the earthworm R-type lectin C-half in complex with Lactose | | Descriptor: | 29-kDa galactose-binding lectin, IMIDAZOLE, PHOSPHATE ION, ... | | Authors: | Suzuki, R, Kuno, A, Hasegawa, T, Hirabayashi, J, Kasai, K, Momma, M, Fujimoto, Z. | | Deposit date: | 2008-08-13 | | Release date: | 2008-09-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sugar-complex structures of the C-half domain of the galactose-binding lectin EW29 from the earthworm Lumbricus terrestris
Acta Crystallogr.,Sect.D, 65, 2009
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1MQA
 | | Crystal structure of high affinity alphaL I domain in the absence of ligand or metal | | Descriptor: | Integrin alpha-L | | Authors: | Shimaoka, T, Xiao, T, Liu, J.-H, Yang, Y, Dong, Y, Jun, C.-D, Zhang, R, Takagi, J, Wang, J.-H, Springer, T.A. | | Deposit date: | 2002-09-15 | | Release date: | 2003-01-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Cell(Cambridge,Mass.), 112, 2003
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