PDB: 37224 resultsInfo pagesStatus searchChemie searchBIRD

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2QP8	Structure of BACE Bound to SCH734723 Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-[(2R,4S)-4-ETHOXYPIPERIDIN-2-YL]-2-HYDROXYETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE Authors: Strickland, C.O, Iserloh, U. Deposit date: 2007-07-23 Release date: 2008-03-11 Last modified: 2017-10-25 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Potent pyrrolidine- and piperidine-based BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
2QLS	crystal structure of hemoglobin from dog (Canis familiaris) at 3.5 Angstrom resolution Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE Authors: Packianathan, C, Sundaresan, S, Palani, K, Neeelagandan, K, Ponnuswamy, M.N. Deposit date: 2007-07-13 Release date: 2008-07-22 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Purification, Crystallization and Crystal structure analysis of hemoglobin from Dog (Canis familiaris) To be Published
2QMP	Crystal Structure of HIV-1 protease complexed with PL-100 Descriptor: N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Pol polyprotein Authors: Allison, T.J. Deposit date: 2007-07-16 Release date: 2008-07-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal Structure of HIV-1 protease complexed with PL-100 To be Published
2QNP	HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide] Authors: Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. Deposit date: 2007-07-19 Release date: 2008-04-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.41 Å) Cite: Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
6KR8	Structure of the beta2 adrenergic receptor in the full agonist bound state Descriptor: beta 2 adrenergic receptor Authors: Imai, S, Shimada, I. Deposit date: 2019-08-21 Release date: 2020-01-29 Last modified: 2020-04-08 Method: SOLUTION NMR Cite: Structural equilibrium underlying ligand-dependent activation of beta2-adrenoreceptor. Nat.Chem.Biol., 16, 2020
2QU3	BACE1 with Compound 2 Descriptor: Beta-secretase 1, N-[amino(imino)methyl]-2-[2-(2-chlorophenyl)-4-(4-propoxyphenyl)-3-thienyl]acetamide Authors: Chopra, R. Deposit date: 2007-08-03 Release date: 2008-08-05 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Thiophene substituted acylguanidines as BACE1 inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
6UNI	Human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate Authors: Sevrioukova, I.F. Deposit date: 2019-10-11 Release date: 2020-02-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.602 Å) Cite: An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
2QXG	Crystal Structure of Human Kallikrein 7 in Complex with Ala-Ala-Phe-chloromethylketone Descriptor: Kallikrein-7, L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide Authors: Debela, M, Hess, P, Magdolen, V, Bode, W, Steiner, T, Goettig, P. Deposit date: 2007-08-11 Release date: 2008-01-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Chymotryptic specificity determinants in the 1.0 A structure of the zinc-inhibited human tissue kallikrein 7. Proc.Natl.Acad.Sci.Usa, 104, 2007
6KUC	Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 2) Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein Authors: Rathore, I, Mishra, V, Bhaumik, P. Deposit date: 2019-08-31 Release date: 2020-05-27 Last modified: 2021-02-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway. Febs J., 288, 2021
6KO6	Crystal structure of AMPPNP bound Cka1 from C. neoformans Descriptor: CMGC/CK2 protein kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Cho, H.S, Yoo, Y. Deposit date: 2019-08-08 Release date: 2019-11-06 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans. Sci Rep, 9, 2019
6KOR	Crystal structure of the RRM domain of SYNCRIP Descriptor: Heterogeneous nuclear ribonucleoprotein Q Authors: Chen, Y, Chan, J, Chen, W, Jobichen, C. Deposit date: 2019-08-12 Release date: 2020-01-22 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.602 Å) Cite: SYNCRIP, a new player in pri-let-7a processing. Rna, 26, 2020
2QZW	Secreted aspartic proteinase (Sap) 1 from Candida albicans Descriptor: Candidapepsin-1 Authors: Ruge, E, Borelli, C, Maskos, K, Huber, R. Deposit date: 2007-08-17 Release date: 2008-07-08 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.05 Å) Cite: X-ray structures of Sap1 and Sap5: Structural comparison of the secreted aspartic proteinases from Candida albicans. Proteins, 72, 2008
2QWK	THE X-RAY STRUCTURE OF A COMPLEX OF 5-N-ACETYL-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID (GS4071) AND WILDTYPE TERN N9 INFLUENZA VIRUS NEURAMINIDASE Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Varghese, J.N. Deposit date: 1998-04-07 Release date: 1998-11-11 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Drug design against a shifting target: a structural basis for resistance to inhibitors in a variant of influenza virus neuraminidase. Structure, 6, 1998
2R27	Constitutively zinc-deficient mutant of human superoxide dismutase (SOD), C6A, H80S, H83S, C111S Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn] Authors: Roberts, B.R, Getzoff, E.D, Karplus, P.A, Beckman, J.S, Tainer, J.A. Deposit date: 2007-08-24 Release date: 2007-12-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural characterization of zinc-deficient human superoxide dismutase and implications for ALS. J.Mol.Biol., 373, 2007
6ULB	Sex Hormone-binding globulin mutant E176K in complex with Danazol Descriptor: CALCIUM ION, Danazol, Sex hormone-binding globulin Authors: Round, P.W, Das, S, Van Petegem, F. Deposit date: 2019-10-07 Release date: 2020-10-21 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Structural and biochemical analyses of danazol interactions with sex hormone-binding globulin and effects on androgen action To Be Published
6KRF	An X-ray structure of ferric F43Y/F46S sperm whale myoglobin in complex with guaiacol Descriptor: Guaiacol, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE Authors: Yuan, H, Lin, Y.W. Deposit date: 2019-08-21 Release date: 2020-07-01 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.86 Å) Cite: A Catalytic Binding Site Together with a Distal Tyr in MyoglobinAffords Catalytic Efficiencies Similar to Natural Peroxidases. Acs Catalysis, 10, 2020
2R3K	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Descriptor: 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine, Cell division protein kinase 2 Authors: Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. Deposit date: 2007-08-29 Release date: 2008-01-22 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
6U22	Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin Descriptor: 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... Authors: White, A.M, King, G.J, Durek, T, Craik, D.J. Deposit date: 2019-08-19 Release date: 2020-07-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.42 Å) Cite: Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
2QZJ	Crystal structure of a two-component response regulator from Clostridium difficile Descriptor: Two-component response regulator Authors: Sugadev, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2007-08-16 Release date: 2007-09-04 Last modified: 2021-02-03 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Crystal structure of a two-component response regulator from Clostridium difficile. To be Published
2R3U	Crystal structure of the PDZ deletion mutant of DegS Descriptor: Protease degS Authors: Clausen, T, Kurzbauer, R. Deposit date: 2007-08-30 Release date: 2007-11-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Regulation of the sigmaE stress response by DegS: how the PDZ domain keeps the protease inactive in the resting state and allows integration of different OMP-derived stress signals upon folding stress. Genes Dev., 21, 2007
6U2U	Helix-Loop-helix motif of mouse DNA-binding protein inhibitor ID-1 Descriptor: DNA-binding protein inhibitor ID-1 Authors: Benezra, R, Pavletich, N.P, Goldgur, Y, Gall, A.-L. Deposit date: 2019-08-20 Release date: 2019-10-16 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.5 Å) Cite: A Small-Molecule Pan-Id Antagonist Inhibits Pathologic Ocular Neovascularization. Cell Rep, 29, 2019
2R3P	Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor Descriptor: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 Authors: Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. Deposit date: 2007-08-29 Release date: 2008-01-22 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Structure-guided discovery of cyclin-dependent kinase inhibitors. Biopolymers, 89, 2008
2R43	I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor Descriptor: CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ... Authors: Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. Deposit date: 2007-08-30 Release date: 2008-09-09 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
6KUD	Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 3) Descriptor: GLYCEROL, HAP protein Authors: Rathore, I, Mishra, V, Bhaumik, P. Deposit date: 2019-08-31 Release date: 2020-05-27 Last modified: 2021-02-03 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway. Febs J., 288, 2021
6KUB	Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1) Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein Authors: Rathore, I, Mishra, V, Bhaumik, P. Deposit date: 2019-08-31 Release date: 2020-05-27 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway. Febs J., 288, 2021

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