2IRZ
 
 | | Crystal structure of human Beta-secretase complexed with inhibitor | | Descriptor: | 3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE, Beta-secretase 1 | | Authors: | Munshi, S. | | Deposit date: | 2006-10-16 | | Release date: | 2006-11-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1).
J.Med.Chem., 49, 2006
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6PRF
 | | HIV-1 Protease multiple drug resistant clinical isolate mutant PR20 with GRL-14213A | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, Protease, YTTRIUM ION | | Authors: | Kneller, D.W, Agniswamy, J, Weber, I.T. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Potent antiviral HIV-1 protease inhibitor combats highly drug resistant mutant PR20.
Biochem.Biophys.Res.Commun., 519, 2019
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1E65
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3KDH
 | | Structure of ligand-free PYL2 | | Descriptor: | Putative uncharacterized protein At2g26040 | | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.653 Å) | | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
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2VQY
 | | Structure of AAC(6')-Ib in complex with Parmomycin and AcetylCoA. | | Descriptor: | AAC(6')-IB, ACETYL COENZYME *A, CALCIUM ION, ... | | Authors: | Vetting, M.W, Park, C.H, Hedge, S.S, Hooper, D.C, Blanchard, J.S. | | Deposit date: | 2008-03-20 | | Release date: | 2008-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanistic and Structural Analysis of Aminoglycoside N-Acetyltransferase Aac(6')-Ib and its Bifunctional, Fluoroquinolone-Active Aac(6')-Ib-Cr Variant.
Biochemistry, 47, 2008
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6PPZ
 | | Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NeuB.Mn2+.Pi.ManNAc) | | Descriptor: | 2-(ACETYLAMINO)-2-DEOXY-D-MANNOSE, MANGANESE (II) ION, N-acetylneuraminate synthase, ... | | Authors: | Berti, P.J, Junop, M.S. | | Deposit date: | 2019-07-08 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
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7VS9
 | | Crystal structure of P domain from norovirus GI.9 capsid protein in complex with Lewis x antigen. | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, VP1, ... | | Authors: | Murayama, K, Kato-Murayama, M, Shirouzu, M. | | Deposit date: | 2021-10-26 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Lewis fucose is a key moiety for the recognition of histo-blood group antigens by GI.9 norovirus, as revealed by structural analysis.
Febs Open Bio, 12, 2022
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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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7JRF
 | | CO-CO-BOUND NITROGENASE MOFE-PROTEIN FROM A. VINELANDII | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, CARBON MONOXIDE, ... | | Authors: | Spatzal, T, Perez, K.A, Buscagan, T.M, Maggiolo, A.O, Rees, D.C. | | Deposit date: | 2020-08-12 | | Release date: | 2021-03-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural Characterization of Two CO Molecules Bound to the Nitrogenase Active Site.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6EM0
 | | Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase M321A from Pseudomonas azelaica | | Descriptor: | 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Deri, B, Bregman-Cohen, A, Pazy Benhar, Y, Fishman, A. | | Deposit date: | 2017-10-01 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Altering 2-Hydroxybiphenyl 3-Monooxygenase Regioselectivity by Protein Engineering for the Production of a New Antioxidant.
Chembiochem, 19, 2018
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7VS8
 | | Crystal structure of P domain from norovirus GI.9 capsid protein in complex with Lewis b antigen. | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, VP1, ... | | Authors: | Murayama, K, Kato-Murayama, M, Shirouzu, M. | | Deposit date: | 2021-10-26 | | Release date: | 2022-08-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Lewis fucose is a key moiety for the recognition of histo-blood group antigens by GI.9 norovirus, as revealed by structural analysis.
Febs Open Bio, 12, 2022
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5JXA
 | | Crystal structure of ligand-free VRC03 antigen-binding fragment. | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, PHOSPHATE ION, ... | | Authors: | Zhou, T, Moquin, S, Joyce, M.G, Mascola, J.R, Kwong, P.D. | | Deposit date: | 2016-05-12 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Somatic Hypermutation-Induced Changes in the Structure and Dynamics of HIV-1 Broadly Neutralizing Antibodies.
Structure, 24, 2016
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2IAV
 | | Crystal structure of squid ganglion DFPase H287A mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
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5K1V
 | | Crystal structure of Endoplasmic Reticulum aminopeptidase 2 (ERAP2) in complex with a diaminobenzoic acid derivative ligand. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 2, ... | | Authors: | Saridakis, E, Papakyriakou, A, Giastas, P, Mpakali, A, Mavridis, I.M, Stratikos, E. | | Deposit date: | 2016-05-18 | | Release date: | 2017-03-29 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.897 Å) | | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency.
ACS Med Chem Lett, 8, 2017
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1C12
 | | INSIGHT IN ODORANT PERCEPTION: THE CRYSTAL STRUCTURE AND BINDING CHARACTERISTICS OF ANTIBODY FRAGMENTS DIRECTED AGAINST THE MUSK ODORANT TRASEOLIDE | | Descriptor: | PROTEIN (ANTIBODY FRAGMENT FAB), TRAZEOLIDE | | Authors: | Langedijk, A.C, Spinelli, S, Anguille, C, Hermans, P, Nederlof, J, Butenandt, J, Honegger, A, Cambillau, C, Pluckthun, A. | | Deposit date: | 1999-07-20 | | Release date: | 1999-08-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Insight into odorant perception: the crystal structure and binding characteristics of antibody fragments directed against the musk odorant traseolide.
J.Mol.Biol., 292, 1999
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5K4U
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei showing different active site loop conformations between dimer subunits, refined to 1.9 angstroms | | Descriptor: | ACETATE ION, GLYCEROL, L-threonine 3-dehydrogenase, ... | | Authors: | Adjogatse, E.K, Cooper, J.B, Erskine, P.T. | | Deposit date: | 2016-05-22 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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7K98
 | | Preaminoacylation complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine (F-AMS) | | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, CHLORIDE ION, GLYCEROL, ... | | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-28 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
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7K9M
 | | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine | | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-09-29 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation.
Nucleic Acids Res., 49, 2021
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1C3I
 | | HUMAN STROMELYSIN-1 CATALYTIC DOMAIN COMPLEXED WITH RO-26-2812 | | Descriptor: | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER, CALCIUM ION, STROMELYSIN-1, ... | | Authors: | Steele, D.L, Kammlott, R.U, Crowther, R.L, Birktoft, J.J, Dunten, P, Engler, J.E. | | Deposit date: | 1999-07-27 | | Release date: | 2000-07-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Expression, characterization and structure determination of an active site mutant (Glu202-Gln) of mini-stromelysin-1.
Protein Eng., 13, 2000
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7B2S
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6EWO
 | | Crystal structure of non-phosphorylated form of RTF PHOSPHOPEPTIDE BOUND TO HLA-A2 in complex with LILRB1 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Mohammed, F, Stones, D.H, Willcox, B.E. | | Deposit date: | 2017-11-06 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Application of the immunoregulatory receptor LILRB1 as a crystallisation chaperone for human class I MHC complexes.
J. Immunol. Methods, 464, 2019
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5K4Q
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ refined to 2.3 angstroms | | Descriptor: | GLYCEROL, L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Adjogatse, E.K, Cooper, J.B, Erskine, P.T. | | Deposit date: | 2016-05-21 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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6PBS
 | | Structure of ClpC1-NTD in complex with Ecumicin | | Descriptor: | ACETATE ION, ATP-dependent Clp protease ATP-binding subunit ClpC1, ecumicin | | Authors: | Abad-Zapatero, C, Wolf, N.M. | | Deposit date: | 2019-06-14 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
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6M01
 | | The structure of HitB-HitD complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Miyanaga, A, Kurihara, S, Kudo, F, Eguchi, T. | | Deposit date: | 2020-02-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Characterization of Complex of Adenylation Domain and Carrier Protein by Using Pantetheine Cross-Linking Probe.
Acs Chem.Biol., 15, 2020
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2W5I
 | | RNASE A-AP3A COMPLEX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC | | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | | Deposit date: | 2008-12-10 | | Release date: | 2009-02-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate-Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study.
Biopolymers, 91, 2009
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