2Q98
 
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3NC5
 | | CYP134A1 structure with an open substrate binding loop | | Descriptor: | Cytochrome P450 cypX, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cryle, M.J, Schlichting, I. | | Deposit date: | 2010-06-04 | | Release date: | 2010-08-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and biochemical characterization of the cytochrome P450 CypX (CYP134A1) from Bacillus subtilis: a cyclo-L-leucyl-L-leucyl dipeptide oxidase.
Biochemistry, 49, 2010
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5AO1
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1EBK
 | | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease | | Descriptor: | HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide | | Authors: | Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T. | | Deposit date: | 2000-01-24 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
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7ZBF
 | | Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus | | Descriptor: | Iripin-4 serpin, NICKEL (II) ION | | Authors: | Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T. | | Deposit date: | 2022-03-23 | | Release date: | 2023-04-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
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3ZMN
 | | VP17, a capsid protein of bacteriophage P23-77 | | Descriptor: | VP17 | | Authors: | Rissanen, I, Grimes, J.M, Pawlowski, A, Mantynen, S, Harlos, K, Bamford, J.K.H, Stuart, D.I. | | Deposit date: | 2013-02-11 | | Release date: | 2013-05-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Bacteriophage P23-77 Capsid Protein Structures Reveal the Archetype of an Ancient Branch from a Major Virus Lineage.
Structure, 21, 2013
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5AYY
 | | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE REACTANT QUINOLINATE | | Descriptor: | Nicotinate-nucleotide pyrophosphorylase [carboxylating], QUINOLINIC ACID | | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | | Deposit date: | 2015-09-14 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis
Sci Rep, 6, 2016
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3RBA
 | | Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis complexed with DPCoA | | Descriptor: | DEPHOSPHO COENZYME A, Phosphopantetheine adenylyltransferase | | Authors: | Timofeev, V.I, Smirnova, E.A, Chupova, L.A, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2011-03-29 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Three-Dimensional Structure of Phosphopantetheine Adenylyltransferase
from Mycobacterium Tuberculosis in the Apo Form and in Complexes
with Coenzyme A and Dephosphocoenzyme A
CRYSTALLOGRAPHY REPORTS, 57, 2012
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4K42
 | | Crystal structure of actin in complex with synthetic AplC tail analogue SF01 [(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate] | | Descriptor: | (3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Pereira, J.H, Petchprayoon, C, Moriarty, N.W, Fink, S.J, Cecere, G, Paterson, I, Adams, P.D, Marriott, G. | | Deposit date: | 2013-04-11 | | Release date: | 2014-10-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural and biochemical studies of actin in complex with synthetic macrolide tail analogues.
Chemmedchem, 9, 2014
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3NMM
 | | Human Hemoglobin A mutant alpha H58W deoxy-form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Birukou, I, Soman, J, Olson, J.S. | | Deposit date: | 2010-06-22 | | Release date: | 2010-07-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Blocking the gate to ligand entry in human hemoglobin.
J.Biol.Chem., 286, 2011
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1EMU
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7Z9V
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Anhydroerythritol | | Descriptor: | (3~{S},4~{R})-oxolane-3,4-diol, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2022-03-21 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
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2PX2
 | | Crystal structure of the Murray Valley Encephalitis Virus NS5 2'-O Methyltransferase domain in complex with SAH (Monoclinic form 1) | | Descriptor: | CHLORIDE ION, Genome polyprotein [Contains: Capsid protein C (Core protein); Envelope protein M (Matrix protein); Major envelope protein E; Non-structural protein 1 (NS1); Non-structural protein 2A (NS2A); Flavivirin protease NS2B regulatory subunit; Flavivirin protease NS3 catalytic subunit; Non-structural protein 4A (NS4A); Non-structural protein 4B (NS4B); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5)], S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Assenberg, R, Ren, J, Verma, A, Walter, T.S, Alderton, D, Hurrelbrink, R.J, Fuller, S.D, Owens, R.J, Stuart, D.I, Grimes, J.M, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2007-05-14 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the Murray Valley encephalitis virus NS5 methyltransferase domain in complex with cap analogues.
J.Gen.Virol., 88, 2007
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5AO2
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3ZF6
 | | Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81A D110C S168C mutant with dUpNHpp). | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DUTPASE, NICKEL (II) ION | | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | | Deposit date: | 2012-12-10 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
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3ZF1
 | | Phage dUTPases control transfer of virulence genes by a proto- oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase D81N mutant with dUpNHpp). | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, NICKEL (II) ION | | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | | Deposit date: | 2012-12-10 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
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3ZF5
 | | Phage dUTPases control transfer of virulence genes by a proto-oncogenic G protein-like mechanism. (Staphylococcus bacteriophage 80alpha dUTPase Y84F mutant with dUpNHpp). | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DUTPASE, MAGNESIUM ION, ... | | Authors: | Tormo-Mas, M.A, Donderis, J, Garcia-Caballer, M, Alt, A, Mir-Sanchis, I, Marina, A, Penades, J.R. | | Deposit date: | 2012-12-10 | | Release date: | 2013-01-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Phage Dutpases Control Transfer of Virulence Genes by a Proto-Oncogenic G Protein-Like Mechanism.
Mol.Cell, 49, 2013
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3UC7
 | | Trp-cage cyclo-TC1 - monoclinic crystal form | | Descriptor: | CHLORIDE ION, Cyclo-TC1 | | Authors: | Scian, M, Le Trong, I, Stenkamp, R.E, Andersen, N.H. | | Deposit date: | 2011-10-26 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3UDH
 | | Crystal Structure of BACE with Compound 1 | | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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4BDJ
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | Descriptor: | 3-cyclopropyl-4-(furan-2-yl)-1H-pyrazolo[3,4-b]pyridine, CHECKPOINT KINASE 2, NITRATE ION | | Authors: | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-06-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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4LXC
 | | The antimicrobial peptidase lysostaphin from Staphylococcus simulans | | Descriptor: | Lysostaphin, SULFATE ION, ZINC ION | | Authors: | Sabala, I, Jagielska, E, Bardelang, P.T, Czapinska, H, Dahms, S.O, Sharpe, J.A, James, R, Than, M.E, Thomas, N.R, Bochtler, M. | | Deposit date: | 2013-07-29 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans.
Febs J., 281, 2014
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5ANM
 | | Crystal structure of IgE Fc in complex with a neutralizing antibody | | Descriptor: | IG EPSILON CHAIN C REGION, IMMUNOGLOBULIN G, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cohen, E.S, Dobson, C.L, Kack, H, Wang, B, Sims, D.A, Lloyd, C.O, England, E, Rees, D.G, Guo, H, Karagiannis, S.N, O'Brien, S, Persdotter, S, Ekdahl, H, Butler, R, Keyes, F, Oakley, S, Carlsson, M, Briend, E, Wilkinson, T, Anderson, I.K, Monk, P.D, vonWachenfeldt, K, Eriksson, P.O, Gould, H.J, Vaughan, T.J, May, R.D. | | Deposit date: | 2015-09-07 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Novel Ige-Neutralizing Antibody for the Treatment of Severe Uncontrolled Asthma.
Mabs, 6, 2015
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1GD9
 | | CRYSTALL STRUCTURE OF PYROCOCCUS PROTEIN-A1 | | Descriptor: | ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Ura, H, Harata, K, Matsui, I, Kuramitsu, S. | | Deposit date: | 2000-09-22 | | Release date: | 2001-09-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Temperature dependence of the enzyme-substrate recognition mechanism.
J.Biochem., 129, 2001
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2X3H
 | | COLIPHAGE K5A LYASE | | Descriptor: | BROMIDE ION, K5 LYASE | | Authors: | Thompson, J.E, Pourhossein, M, Goldrick, M, Hudson, T, Derrick, J.P, Roberts, I.S. | | Deposit date: | 2010-02-04 | | Release date: | 2010-06-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The K5 Lyase Kfla Combines a Viral Tail Spike Structure with a Bacterial Polysaccharide Lyase Mechanism.
J.Biol.Chem., 285, 2010
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5AMM
 | | Structure of Leishmania major peroxidase D211N mutant | | Descriptor: | ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ... | | Authors: | Chreifi, G, Fields, J.B, Hollingsworth, S.A, Heyden, M, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L, Tobias, D.J. | | Deposit date: | 2015-03-11 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | "Bind and Crawl" Association Mechanism of Leishmania Major Peroxidase and Cytochrome C Revealed by Brownian and Molecular Dynamics Simulations.
Biochemistry, 54, 2015
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