1EYX
 
 | | CRYSTAL STRUCTURE OF R-PHYCOERYTHRIN AT 2.2 ANGSTROMS | | Descriptor: | BILIVERDINE IX ALPHA, PHYCOCYANOBILIN, PHYCOUROBILIN, ... | | Authors: | Contreras-Martel, C, Legrand, P, Piras, C, Vernede, X, Martinez-Oyanedel, J, Bunster, M, Fontecilla-Camps, J.C. | | Deposit date: | 2000-05-09 | | Release date: | 2000-11-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystallization and 2.2 A resolution structure of R-phycoerythrin from Gracilaria chilensis: a case of perfect hemihedral twinning.
Acta Crystallogr.,Sect.D, 57, 2001
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1I4E
 | | CRYSTAL STRUCTURE OF THE CASPASE-8/P35 COMPLEX | | Descriptor: | Caspase-8, Early 35 kDa protein | | Authors: | Xu, G, Cirilli, M, Huang, Y, Rich, R.L, Myszka, D.G, Wu, H. | | Deposit date: | 2001-02-20 | | Release date: | 2001-03-28 | | Last modified: | 2013-09-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Covalent inhibition revealed by the crystal structure of the caspase-8/p35 complex.
Nature, 410, 2001
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1EH2
 | | STRUCTURE OF THE SECOND EPS15 HOMOLOGY DOMAIN OF HUMAN EPS15, NMR, 20 STRUCTURES | | Descriptor: | CALCIUM ION, EPS15 | | Authors: | De Beer, T, Carter, R.E, Lobel-Rice, K.E, Sorkin, A, Overduin, M. | | Deposit date: | 1998-07-10 | | Release date: | 1999-07-22 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and Asn-Pro-Phe binding pocket of the Eps15 homology domain.
Science, 281, 1998
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5L9H
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-340 | | Descriptor: | 5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-2-propan-2-yl-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Brown, D.G. | | Deposit date: | 2016-06-10 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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1ECC
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1ECB
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1EA1
 | | Cytochrome P450 14 alpha-sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYTOCHROME P450 51-LIKE RV0764C, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Podust, L.M, Poulos, T.L, Waterman, M.R. | | Deposit date: | 2000-11-02 | | Release date: | 2000-11-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal Structure of Cytochrome P450 14Alpha -Sterol Demethylase (Cyp51) from Mycobacterium Tuberculosis in Complex with Azole Inhibitors
Proc.Natl.Acad.Sci.USA, 98, 2001
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1IDB
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1ECP
 | | PURINE NUCLEOSIDE PHOSPHORYLASE | | Descriptor: | PURINE NUCLEOSIDE PHOSPHORYLASE | | Authors: | Mao, C, Ealick, S.E. | | Deposit date: | 1995-07-13 | | Release date: | 1996-06-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of Escherichia coli purine nucleoside phosphorylase: a comparison with the human enzyme reveals a conserved topology.
Structure, 5, 1997
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1EST
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5LF4
 | | Human 20S proteasome complex with Delanzomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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6V1M
 | | Structure of NDM-1 bound to QPX7728 at 1.05 A | | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Pemberton, O.A, Chen, Y. | | Deposit date: | 2019-11-20 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases.
J.Med.Chem., 63, 2020
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1IQW
 | | CRYSTAL STRUCTURE OF THE FAB FRAGMENT OF THE MOUSE ANTI-HUMAN FAS ANTIBODY HFE7A | | Descriptor: | ANTIBODY M-HFE7A, HEAVY CHAIN, LIGHT CHAIN | | Authors: | Ito, S, Takayama, T, Hanzawa, H, Ichikawa, K, Ohsumi, J, Serizawa, N, Hata, T, Haruyama, H. | | Deposit date: | 2001-08-10 | | Release date: | 2002-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the antigen-binding fragment of apoptosis-inducing mouse anti-human Fas monoclonal antibody HFE7A.
J.Biochem., 131, 2002
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5LF6
 | | Human 20S proteasome complex with Z-LLY-ketoaldehyde at 2.1 Angstrom | | Descriptor: | CHLORIDE ION, LLY-ketoaldehyde peptide, MAGNESIUM ION, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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6OUN
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (-)3TC-TP | | Descriptor: | DNA primer 20-mer, DNA template 27-mer, Lamivudine Triphosphate, ... | | Authors: | Bertoletti, N, Anderson, K.S. | | Deposit date: | 2019-05-04 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.656 Å) | | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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1F3J
 | | HISTOCOMPATIBILITY ANTIGEN I-AG7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, LYSOZYME C, ... | | Authors: | Latek, R.R, Unanue, E.R, Fremont, D.H. | | Deposit date: | 2000-06-04 | | Release date: | 2000-09-20 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis of peptide binding and presentation by the type I diabetes-associated MHC class II molecule of NOD mice.
Immunity, 12, 2000
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5LEY
 | | Human 20S proteasome complex with Oprozomib at 1.9 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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1F3T
 | | CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI ORNITHINE DECARBOXYLASE (ODC) COMPLEXED WITH PUTRESCINE, ODC'S REACTION PRODUCT. | | Descriptor: | 1,4-DIAMINOBUTANE, ORNITHINE DECARBOXYLASE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Jackson, L.K, Brooks, H.B, Osterman, A.L, Goldsmith, E.J, Phillips, M.A. | | Deposit date: | 2000-06-06 | | Release date: | 2000-11-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Altering the reaction specificity of eukaryotic ornithine decarboxylase.
Biochemistry, 39, 2000
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6OTZ
 | | Structure of HIV-1 Reverse Transcriptase (RT) in complex with dsDNA and (+)FTC-TP | | Descriptor: | DNA Primer 20-mer, DNA template 27-mer, GLYCEROL, ... | | Authors: | Bertoletti, N, Anderson, K.S. | | Deposit date: | 2019-05-03 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.857 Å) | | Cite: | Structural insights into the recognition of nucleoside reverse transcriptase inhibitors by HIV-1 reverse transcriptase: First crystal structures with reverse transcriptase and the active triphosphate forms of lamivudine and emtricitabine.
Protein Sci., 28, 2019
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1F1J
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5LPG
 | | Structure of NUDT15 in complex with 6-thio-GMP | | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Masuyer, G, Carter, M, Rehling, D, Stenmark, P, Helleday, T, Jemth, A.-S, Valerie, N.C.K, Homan, E, Herr, P, Bevc, L, Page, B.D.G, Hagenkort, A. | | Deposit date: | 2016-08-12 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | NUDT15 Hydrolyzes 6-Thio-DeoxyGTP to Mediate the Anticancer Efficacy of 6-Thioguanine.
Cancer Res., 76, 2016
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1F22
 | | A PROTON-NMR INVESTIGATION OF THE FULLY REDUCED CYTOCHROME C7 FROM DESULFUROMONAS ACETOXIDANS. COMPARISON BETWEEN THE REDUCED AND THE OXIDIZED FORMS. | | Descriptor: | CYTOCHROME C7, HEME C | | Authors: | Assfalg, M, Banci, L, Bertini, I, Bruschi, M, Giudici-Orticoni, M.T. | | Deposit date: | 2000-05-23 | | Release date: | 2000-06-21 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | A proton-NMR investigation of the fully reduced cytochrome c7 from Desulfuromonas acetoxidans. Comparison between the reduced and the oxidized forms.
Eur.J.Biochem., 266, 1999
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5LF7
 | | Human 20S proteasome complex with Ixazomib at 2.0 Angstrom | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A. | | Deposit date: | 2016-06-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
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5LSG
 | | PPARgamma complex with the betulinic acid | | Descriptor: | Betulinic Acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A. | | Deposit date: | 2016-08-26 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis.
Sci Rep, 7, 2017
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6OQO
 | | CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine | | Descriptor: | Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | | Authors: | Murray, J.M, Boenig, G.D.L. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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