6DV4
 
 | | HIV-1 wild type protease with GRL-04315A, a tetrahydronaphthalene carboxamide with (R)-Boc-amine and (S)-hydroxyl functionalities as the P2 ligand | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2018-06-22 | | Release date: | 2018-10-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands.
Eur J Med Chem, 160, 2018
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7RXL
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6AXL
 | | Crystal structure of Fab317 complex | | Descriptor: | Fab317 heavy chain, Fab317 light chains, Peptide ACE-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-NH2 | | Authors: | Oyen, D, Wilson, I.A. | | Deposit date: | 2017-09-07 | | Release date: | 2017-11-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for antibody recognition of the NANP repeats in Plasmodium falciparum circumsporozoite protein.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7S0X
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2VNK
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6EDZ
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7AKN
 | | Thermolysin from Bacillus thermoproteolyticus | | Descriptor: | CALCIUM ION, LYSINE, Thermolysin, ... | | Authors: | Boikova, A.S, Ilina, K.B, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2020-10-01 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Thermolysin from Bacillus thermoproteolyticus
To Be Published
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6APG
 | | Trans-acting transferase from Disorazole synthase with malonate | | Descriptor: | CALCIUM ION, DisD protein, GLYCEROL, ... | | Authors: | Mathews, I.I, Lyubimov, A.Y, Soltis, S.M, Khosla, C, Robbins, T, Cohen, A.E. | | Deposit date: | 2017-08-17 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
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6EOM
 | | Structure of DPP III from Caldithrix abyssi | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, CHLORIDE ION, ... | | Authors: | Sabljic, I. | | Deposit date: | 2017-10-10 | | Release date: | 2018-03-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | The first dipeptidyl peptidase III from a thermophile: Structural basis for thermal stability and reduced activity.
PLoS ONE, 13, 2018
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1UPD
 | | Oxidized STRUCTURE OF CYTOCHROME C3 FROM DESULFOVIBRIO DESULFURICANS ATCC 27774 AT PH 7.6 | | Descriptor: | CYTOCHROME C3, HEME C | | Authors: | Bento, I, Matias, P.M, Baptista, A.M, Da Costa, P.N, Van Dongen, W.M.A.M, Saraiva, L.M, Schneider, T.R, Soares, C.M, Carrondo, M.A. | | Deposit date: | 2003-09-29 | | Release date: | 2004-09-30 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Basis for Redox-Bohr and Cooperative Effects in Cytochrome C3 from Desulfovibrio Desulfuricans Atcc 27774: Crystallographic and Modeling Studies of Oxidized and Reduced High-Resolution Structures at Ph 7.6
Proteins, 54, 2004
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1FPC
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | Descriptor: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | | Authors: | Tulinsky, A, Mathews, I.I. | | Deposit date: | 1994-10-16 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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6E7J
 | | HIV-1 wild type protease with GRL-042-17A, 3-phenylhexahydro-2h-cyclopenta[d]oxazol-2-one with a bicyclic oxazolidinone scaffold as the P2 ligand | | Descriptor: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, Protease, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2018-07-26 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies.
J. Med. Chem., 61, 2018
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4NZU
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1THZ
 | | Crystal Structure of Avian AICAR Transformylase in Complex with a Novel Inhibitor Identified by Virtual Ligand Screening | | Descriptor: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID, Bifunctional purine biosynthesis protein PURH, POTASSIUM ION | | Authors: | Xu, L, Li, C, Olson, A.J, Wilson, I.A. | | Deposit date: | 2004-06-01 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.
J.Biol.Chem., 279, 2004
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3MXB
 | | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus | | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*GP*CP*TP*GP*AP*GP*GP*TP*AP*CP*CP*TP*GP*AP*GP*AP*AP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*TP*CP*TP*CP*AP*GP*GP*TP*AP*CP*CP*TP*CP*AP*GP*CP*CP*AP*GP*A)-3'), ... | | Authors: | Munoz, I.G, Prieto, J, Subramanian, S, Coloma, J, Montoya, G. | | Deposit date: | 2010-05-07 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of engineered meganuclease targeting of the endogenous human RAG1 locus.
Nucleic Acids Res., 39, 2011
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1YR2
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3N02
 | | Thaumatic crystals grown in loops/micromounts | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Mathes, I.I. | | Deposit date: | 2010-05-13 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Diffraction study of protein crystals grown in cryoloops and micromounts.
J.Appl.Crystallogr., 43, 2010
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6DD8
 | | Structure of mouse SYCP3, P21 form | | Descriptor: | Synaptonemal complex protein 3 | | Authors: | Rosenberg, S.C, Munoz, I.C, Uson, I, Corbett, K.D. | | Deposit date: | 2018-05-09 | | Release date: | 2018-08-01 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A conserved filamentous assembly underlies the structure of the meiotic chromosome axis.
Elife, 8, 2019
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2WEI
 | | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | | Descriptor: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | | Authors: | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
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8JWJ
 | | PHD Finger Protein 7 (PHF7) in complex with UBE2D2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, PHD finger protein 7, ... | | Authors: | Lee, H.S, Bang, I, Choi, H.-J. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
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8JWS
 | | ePHD domain of PHD Finger Protein 7 (PHF7) | | Descriptor: | 1,2-ETHANEDIOL, PHD finger protein 7, ZINC ION | | Authors: | Bang, I, Lee, H.S, Choi, H.-J. | | Deposit date: | 2023-06-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for PHF7-mediated ubiquitination of histone H3.
Genes Dev., 37, 2023
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8JWU
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8OM2
 | | Small subunit of yeast mitochondrial ribosome in complex with METTL17/Rsm22. | | Descriptor: | 15S mitochondrial rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Itoh, Y, Chicherin, I, Kamenski, P, Amunts, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | METTL17 is an Fe-S cluster checkpoint for mitochondrial translation.
Mol.Cell, 84, 2024
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8OM4
 | | Small subunit of yeast mitochondrial ribosome. | | Descriptor: | 15S mitochondrial rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Itoh, Y, Chicherin, I, Kamenski, P, Amunts, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | METTL17 is an Fe-S cluster checkpoint for mitochondrial translation.
Mol.Cell, 84, 2024
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8OM3
 | | Small subunit of yeast mitochondrial ribosome in complex with IF3/Aim23. | | Descriptor: | 15S mitochondrial rRNA, 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial, ... | | Authors: | Itoh, Y, Chicherin, I, Kamenski, P, Amunts, A. | | Deposit date: | 2023-03-31 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | METTL17 is an Fe-S cluster checkpoint for mitochondrial translation.
Mol.Cell, 84, 2024
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