4HGH
 
 | | Crystal structure of P450 BM3 5F5 heme domain variant complexed with styrene (dataset I) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450/NADPH-P450 reductase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shehzad, A, Panneerselvam, S, Bocola, M, Mueller-Dieckmann, J, Wilmanns, M, Schwaneberg, U. | | Deposit date: | 2012-10-08 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | P450 BM3 crystal structures reveal the role of the charged surface residue Lys/Arg184 in inversion of enantioselective styrene epoxidation.
Chem.Commun.(Camb.), 49, 2013
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7Z8A
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, KHDR1 protein, LITHIUM ION, ... | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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7Z89
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, Isoform 2 of KH domain-containing, ... | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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3ZOX
 | | Crystal Structure of N64Del Mutant of Nitrosomonas europaea Cytochrome c552 (monoclinic space group) | | Descriptor: | CYTOCHROME C-552, HEME C | | Authors: | Hersleth, H.-P, Can, M, Krucinska, J, Zoppellaro, G, Andersen, N.H, Wedekind, J.E, Andersson, K.K, Bren, K.L. | | Deposit date: | 2013-02-26 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Characterization of Nitrosomonas Europaea Cytochrome C-552 Variants with Marked Differences in Electronic Structure.
Chembiochem, 14, 2013
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7ZAC
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, KHDR1 protein, NITRATE ION | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-22 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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7ZAB
 | | Sam68 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Nadal, M, Puestes-Prior, P. | | Deposit date: | 2022-03-22 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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4H3J
 | | Structure of BACE Bound to 2-fluoro-5-(5-(2-imino-3-methyl-4-oxo-6-phenyloctahydro-1H-pyrrolo[3,4-d]pyrimidin-7a-yl)thiophen-2-yl)benzonitrile | | Descriptor: | 2-fluoro-5-{5-[(2E,4aR,7aR)-2-imino-3-methyl-4-oxo-6-phenyloctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-2-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID | | Authors: | Strickland, C, Mandal, M. | | Deposit date: | 2012-09-13 | | Release date: | 2012-10-17 | | Last modified: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
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7ZAF
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nadal, M, Puestes-Prior, P. | | Deposit date: | 2022-03-22 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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4JGF
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7ZAM
 | | Sam68 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ... | | Authors: | Nadal, M, Fuentes-Prior, P. | | Deposit date: | 2022-03-22 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts.
Protein Sci., 32, 2023
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2ZJH
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4H5T
 | | HSC70 NBD with ADP and Mg | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 71 kDa protein, MAGNESIUM ION, ... | | Authors: | Stec, B. | | Deposit date: | 2012-09-18 | | Release date: | 2014-03-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New crystal structures of HSC-70 ATP binding domain confirm the role of individual binding pockets and suggest a new method of inhibition.
Biochimie, 108, 2015
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3RS7
 | | H-Ras soaked in 50% isopropanol: 1 of 10 in MSCS set | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Mattos, C, Buhrman, G, Kearney, B. | | Deposit date: | 2011-05-02 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of Binding Site Hot Spots on the Surface of Ras GTPase.
J.Mol.Biol., 413, 2011
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2ZSX
 | | Carbonmonoxy Sperm Whale Myoglobin at 140 K: Laser on [600 min] | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. | | Deposit date: | 2008-09-18 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3R0Y
 | | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | | Deposit date: | 2011-03-09 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
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4J5J
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3ZL7
 | | BACE2 FYNOMER COMPLEX | | Descriptor: | BETA-SECRETASE 2, FYNOMER 2B-H11 | | Authors: | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | Deposit date: | 2013-01-28 | | Release date: | 2013-05-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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4GYE
 | | MDR 769 HIV-1 Protease in Complex with Reduced P1F | | Descriptor: | P1F peptide, Protease | | Authors: | Dewdney, T.G, Wang, Y, Brunzelle, J, Reiter, S.J, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-09-05 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
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4J60
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4J64
 | | Crystal structure of Ribonuclease A soaked in 40% Dioxane: One of twelve in MSCS set | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Ribonuclease pancreatic, SULFATE ION | | Authors: | Kearney, B.M, Dechene, M, Swartz, P.D, Mattos, C. | | Deposit date: | 2013-02-11 | | Release date: | 2014-01-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.781 Å) | | Cite: | DRoP: A program for analysis of water structure on protein surfaces
to be published
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4GZQ
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4J6B
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7YXF
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-02-16 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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2ZUI
 | | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant (D297N) | | Descriptor: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | Authors: | Sakurai, K, Harada, K, Shimada, H, Shimokata, K, Hayashi, T, Tsukihara, T. | | Deposit date: | 2008-10-18 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Camphor-soaked Ferric Cytochrome P450cam Mutant
TO BE PUBLISHED
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3RP2
 | | THE STRUCTURE OF RAT MAST CELL PROTEASE II AT 1.9-ANGSTROMS RESOLUTION | | Descriptor: | RAT MAST CELL PROTEASE II | | Authors: | Reynolds, R, Remington, S, Weaver, L, Fischer, R, Anderson, W, Ammon, H, Matthews, B. | | Deposit date: | 1984-09-10 | | Release date: | 1984-10-29 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of rat mast cell protease II at 1.9-A resolution.
Biochemistry, 27, 1988
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