1AWY
| NMR STRUCTURE OF CALCIUM BOUND CONFORMER OF CONANTOKIN G, MINIMIZED AVERAGE STRUCTURE | Descriptor: | CONANTOXIN G | Authors: | Rigby, A.C, Baleja, J.D, Leping, L, Pedersen, L.G, Furie, B.C, Furie, B. | Deposit date: | 1997-10-06 | Release date: | 1998-04-08 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Role of gamma-carboxyglutamic acid in the calcium-induced structural transition of conantokin G, a conotoxin from the marine snail Conus geographus. Biochemistry, 36, 1997
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1AU4
| CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR | Descriptor: | 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-09-10 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J.Med.Chem., 41, 1998
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1AXZ
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1BGD
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1AU3
| CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR | Descriptor: | 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-09-10 | Release date: | 1998-10-14 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J.Med.Chem., 41, 1998
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1APL
| CRYSTAL STRUCTURE OF A MAT-ALPHA2 HOMEODOMAIN-OPERATOR COMPLEX SUGGESTS A GENERAL MODEL FOR HOMEODOMAIN-DNA INTERACTIONS | Descriptor: | DNA (5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*CP*AP*TP*TP*TP*AP*C P*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*GP*TP*AP*AP*AP*TP*GP*AP*AP*TP*TP*A P*CP*AP*TP*G)-3'), PROTEIN (MAT-ALPHA2 HOMEODOMAIN) | Authors: | Wolberger, C, Vershon, A.K, Liu, B, Johnson, A.D, Pabo, C.O. | Deposit date: | 1993-10-04 | Release date: | 1993-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a MAT alpha 2 homeodomain-operator complex suggests a general model for homeodomain-DNA interactions. Cell(Cambridge,Mass.), 67, 1991
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1AX6
| SOLUTION STRUCTURE OF THE [AF]-C8-DG ADDUCT OPPOSITE A-2 DELETION SITE IN THE NARI HOT SPOT SEQUENCE CONTEXT; NMR, 6 STRUCTURES | Descriptor: | 2-AMINOFLUORENE, DNA DUPLEX D(CTCGGC-[AF]G-CCATC)D(GATGGCCGAG) | Authors: | Mao, B, Gorin, A.A, Gu, Z, Hingerty, B.E, Broyde, S, Patel, D.J. | Deposit date: | 1997-10-30 | Release date: | 1998-07-01 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the aminofluorene-intercalated conformer of the syn [AF]-C8-dG adduct opposite a--2 deletion site in the NarI hot spot sequence context. Biochemistry, 36, 1997
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1ATK
| CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64 | Descriptor: | CATHEPSIN K, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1996-12-19 | Release date: | 1998-02-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human osteoclast cathepsin K complex with E-64. Nat.Struct.Biol., 4, 1997
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1AYU
| CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR | Descriptor: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | Deposit date: | 1997-11-10 | Release date: | 1998-11-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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4S2L
| Crystal Structure of OXA-163 beta-lactamase | Descriptor: | Beta-lactamase, SODIUM ION | Authors: | Stojanoski, V, Liya, H, Palzkill, T.G, Prasad, B, Sankaran, B. | Deposit date: | 2015-01-21 | Release date: | 2015-07-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens. Biochemistry, 54, 2015
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7ADH
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6WHD
| Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2 | Descriptor: | COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid | Authors: | Wang, G, Heras, B. | Deposit date: | 2020-04-08 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
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4XYC
| NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES | Descriptor: | 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one, Glutamine synthetase 1 | Authors: | Couturier, C, Silve, S, Morales, R, Ppessegue, B, Llopart, S, Nair, A, Bauer, A, Scheiper, B, poeverlein, c, Ganzhorn, A, Lagrange, S, Bacque, E. | Deposit date: | 2015-02-02 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies. Bioorg.Med.Chem.Lett., 25, 2015
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6AGT
| Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5NRA
| Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7g | Descriptor: | 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine, Chitotriosidase-1, GLYCEROL | Authors: | Mazur, M, Olczak, J, Olejniczak, S, Koralewski, R, Czestkowski, W, Jedrzejczak, A, Golab, J, Dzwonek, K, Dymek, B, Sklepkiewicz, P, Zagozdzon, A, Noonan, T, Mahboubi, K, Conway, B, Sheeler, R, Beckett, P, Hungerford, W.M, Podjarny, A, Mitschler, A, Cousido-Siah, A, Fadel, F, Golebiowski, A. | Deposit date: | 2017-04-22 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.267 Å) | Cite: | Targeting Acidic Mammalian chitinase Is Effective in Animal Model of Asthma. J. Med. Chem., 61, 2018
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5NUP
| Structural basis for maintenance of bacterial outer membrane lipid asymmetry | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ABC transporter permease, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2017-05-01 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry. Nat Microbiol, 2, 2017
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5NUQ
| Structural basis for maintenance of bacterial outer membrane lipid asymmetry | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein F, Probable phospholipid-binding lipoprotein mlaA | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2017-05-01 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry. Nat Microbiol, 2, 2017
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5O3L
| Paired helical filament in Alzheimer's disease brain | Descriptor: | Microtubule-associated protein tau | Authors: | Fitzpatrick, A.W.P, Falcon, B, He, S, Murzin, A.G, Murshudov, G, Garringer, H.G, Crowther, R.A, Ghetti, B, Goedert, M, Scheres, S.H.W. | Deposit date: | 2017-05-24 | Release date: | 2017-07-26 | Last modified: | 2019-07-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease. Nature, 547, 2017
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5NUR
| Structural basis for maintenance of bacterial outer membrane lipid asymmetry | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(3-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, ... | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2017-05-01 | Release date: | 2017-10-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry. Nat Microbiol, 2, 2017
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5NUO
| Structural basis for maintenance of bacterial outer membrane lipid asymmetry | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ABC transporter permease, Outer membrane protein F, ... | Authors: | Abellon-Ruiz, J, Kaptan, S.S, Basle, A, Claudi, B, Bumann, D, Kleinekathofer, U, van den Berg, B. | Deposit date: | 2017-05-01 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for maintenance of bacterial outer membrane lipid asymmetry. Nat Microbiol, 2, 2017
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8BFU
| Crystal structure of the apo p110alpha catalytic subunit from homo sapiens | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | Deposit date: | 2022-10-26 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
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5O3O
| Pronase-treated paired helical filament in Alzheimer's disease brain | Descriptor: | Microtubule-associated protein tau | Authors: | Fitzpatrick, A.W.P, Falcon, B, He, S, Murzin, A.G, Murshudov, G, Garringer, H.G, Crowther, R.A, Ghetti, B, Goedert, M, Scheres, S.H.W. | Deposit date: | 2017-05-24 | Release date: | 2017-07-26 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease. Nature, 547, 2017
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5O3T
| Straight filament in Alzheimer's disease brain | Descriptor: | Microtubule-associated protein tau | Authors: | Fitzpatrick, A.W.P, Falcon, B, He, S, Murzin, A.G, Murshudov, G, Garringer, H.G, Crowther, R.A, Ghetti, B, Goedert, M, Scheres, S.H.W. | Deposit date: | 2017-05-24 | Release date: | 2017-07-26 | Last modified: | 2017-08-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM structures of tau filaments from Alzheimer's disease. Nature, 547, 2017
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5OVD
| Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in new crystal form | Descriptor: | 1,2-ETHANEDIOL, Son of sevenless homolog 1 | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5OVG
| Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18 | Descriptor: | 1,2-ETHANEDIOL, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[5-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-3-yl)thiophen-2-yl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Authors: | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | Deposit date: | 2017-08-28 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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