8BJA
 
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1URQ
 | | Crystal structure of neuronal Q-SNAREs in complex with R-SNARE motif of Tomosyn | | Descriptor: | M-TOMOSYN ISOFORM, SYNAPTOSOMAL-ASSOCIATED PROTEIN 25, SYNTAXIN 1A | | Authors: | Pobbati, A, Razeto, A, Becker, S, Fasshauer, D. | | Deposit date: | 2003-10-31 | | Release date: | 2004-08-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for the Inhibitory Role of Tomosyn in Exocytosis
J.Biol.Chem., 279, 2004
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1UTH
 | | DntR from Burkholderia sp. strain DNT in complex with Thiocyanate | | Descriptor: | LYSR-TYPE REGULATORY PROTEIN, THIOCYANATE ION | | Authors: | Smirnova, I.A, Dian, C, Leonard, G.A, McSweeney, S, Birse, D, Brzezinski, P. | | Deposit date: | 2003-12-09 | | Release date: | 2004-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Development of a Bacterial Biosensor for Nitrotoluenes: The Crystal Structure of the Transcriptional Regulator Dntr
J.Mol.Biol., 340, 2004
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7OVU
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7OVV
 | | Crystal structure of the Arabidopsis thaliana thialysine acetyltransferase AtNATA2 | | Descriptor: | Probable acetyltransferase NATA1-like, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Layer, D, Kopp, J, Sinning, I. | | Deposit date: | 2021-06-15 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insights into the Arabidopsis thaliana thialysine acetyltransferase AtNATA2
To Be Published
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1UXE
 | | ADENOVIRUS AD37 FIBRE HEAD | | Descriptor: | ACETATE ION, FIBER PROTEIN, ZINC ION | | Authors: | Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N. | | Deposit date: | 2004-02-24 | | Release date: | 2004-07-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites
J.Virol., 78, 2004
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8BRN
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with an alpha-aminonaphthylmethylphosphonic acid inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Hussein, W.M, Guddat, L.W, Schenk, G. | | Deposit date: | 2022-11-23 | | Release date: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of an alpha-aminonaphthylmethylphosphonic acid inhibitor of purple acid phosphatase using rational structure-based design approaches.
Eur.J.Med.Chem., 254, 2023
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1UZ2
 | | The Cys121Ser Mutant of Beta-Lactoglobulin | | Descriptor: | BETA-LACTOGLOBULIN | | Authors: | McNae, I, Jayat, D, Haertle, T, Holt, C, Sawyer, L. | | Deposit date: | 2004-03-03 | | Release date: | 2004-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A recombinant C121S mutant of bovine beta-lactoglobulin is more susceptible to peptic digestion and to denaturation by reducing agents and heating.
Biochemistry, 43, 2004
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7YH6
 | | Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-8 Fab heavy chain, NIV-8 Fab light chain, ... | | Authors: | Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y. | | Deposit date: | 2022-07-12 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
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7P5L
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1ZSN
 | | Synthesis, Biological Activity, and X-Ray Crystal Structural Analysis of Diaryl Ether Inhibitors of Malarial Enoyl ACP Reductase. Part 1:4'-Substituted Triclosan Derivatives | | Descriptor: | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, enoyl-acyl carrier reductase | | Authors: | Freundlich, J.S, Anderson, J.W, Sarantakis, D, Shieh, H.M, Yu, M, Lucumi, E, Kuo, M, Schiehser, G.A, Jacobus, D.P, Jacobs Jr, W.R, Fidock, D.A, Sacchettini, J.C. | | Deposit date: | 2005-05-24 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.992 Å) | | Cite: | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-Substituted triclosan derivatives.
Bioorg.Med.Chem.Lett., 15, 2005
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4E0L
 | | FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN) | | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7P8G
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 - apo form | | Descriptor: | CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MALONATE ION, ... | | Authors: | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | Deposit date: | 2021-07-21 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 - apo form
To Be Published
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1ZX1
 | | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954 | | Descriptor: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, NRH dehydrogenase [quinone] 2, ... | | Authors: | Jansson, A, Wu, X, Kavanagh, K, Kerr, D, Knox, R, Walton, R, Gunther, U, Ludwig, C, Edwards, A, Arrowsmith, C, Sundstrom, M, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-06 | | Release date: | 2005-06-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Human quinone oxidoreductase 2 (NQO2) in complex with the cytostatic prodrug CB1954
To be Published
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7P2K
 | | Solution NMR Structure of Arginine to Cysteine mutant of Arkadia RING domain. | | Descriptor: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | | Authors: | Raptis, V, Marousis, K.D, Birkou, M, Bentrop, D, Episkopou, V, Spyroulias, G.A. | | Deposit date: | 2021-07-06 | | Release date: | 2022-03-23 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Impact of a Single Nucleotide Polymorphism on the 3D Protein Structure and Ubiquitination Activity of E3 Ubiquitin Ligase Arkadia.
Front Mol Biosci, 9, 2022
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1US0
 | | Human Aldose Reductase in complex with NADP+ and the inhibitor IDD594 at 0.66 Angstrom | | Descriptor: | ALDOSE REDUCTASE, CITRIC ACID, IDD594, ... | | Authors: | Howard, E.I, Sanishvili, R, Cachau, R.E, Mitschler, A, Chevrier, B, Barth, P, Lamour, V, Van Zandt, M, Sibley, E, Bon, C, Moras, D, Schneider, T.R, Joachimiak, A, Podjarny, A. | | Deposit date: | 2003-11-16 | | Release date: | 2004-05-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (0.66 Å) | | Cite: | Ultrahigh Resolution Drug Design I: Details of Interactions in Human Aldose Reductase-Inhibitor Complex at 0.66 A.
Proteins, 55, 2004
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1UW7
 | | Nsp9 protein from SARS-coronavirus. | | Descriptor: | NSP9 | | Authors: | Sutton, G, Fry, E, Carter, L, Sainsbury, S, Walter, T, Nettleship, J, Berrow, N, Owens, R, Gilbert, R, Davidson, A, Siddell, S, Poon, L.L.M, Diprose, J, Alderton, D, Walsh, M, Grimes, J.M, Stuart, D.I. | | Deposit date: | 2004-01-30 | | Release date: | 2004-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Nsp9 Replicase Protein of Sars-Coronavirus, Structure and Functional Insights
Structure, 12, 2004
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8B4F
 | | Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-09-20 | | Release date: | 2023-09-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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1URY
 | | cytoglobin cavities | | Descriptor: | CYTOGLOBIN, HEXACYANOFERRATE(3-), PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | de Sanctis, D, Dewilde, S, Pesce, A, Moens, L, Ascenzi, P, Hankeln, T, Burmester, T, Bolognesi, M. | | Deposit date: | 2003-11-12 | | Release date: | 2004-12-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cytoglobin Cavities
Biochem.Biophys.Res.Commun., 316, 2004
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1ZR0
 | | Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, Tissue factor pathway inhibitor 2 | | Authors: | Schmidt, A.E, Chand, H.S, Cascio, D, Kisiel, W, Bajaj, S.P. | | Deposit date: | 2005-05-18 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Crystal structure of Kunitz domain 1 (KD1) of tissue factor pathway inhibitor-2 in complex with trypsin. Implications for KD1 specificity of inhibition
J.Biol.Chem., 280, 2005
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1UT0
 | | CRYSTAL STRUCTURE OF CYTOGLOBIN: THE FOURTH GLOBIN TYPE DISCOVERED IN MAN DISPLAYS HEME HEXA-COORDINATION | | Descriptor: | CYTOGLOBIN, HEXACYANOFERRATE(3-), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | De Sanctis, D, Dewilde, S, Pesce, A, Moens, L, Ascenzi, P, Hankeln, T, Burmester, T, Bolognesi, M. | | Deposit date: | 2003-12-02 | | Release date: | 2004-06-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Cytoglobin: The Fourth Globin Type Discovered in Man Displays Heme Hexa-Coordination
J.Mol.Biol., 336, 2004
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1GYH
 | | Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant | | Descriptor: | ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION | | Authors: | Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2002-04-23 | | Release date: | 2002-08-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has a Novel Five-Blade Beta-Propeller Fold
Nat.Struct.Biol., 9, 2002
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1UX9
 | | Mapping protein matrix cavities in human cytoglobin through Xe atom binding: a crystallographic investigation | | Descriptor: | CYTOGLOBIN, HEXACYANOFERRATE(3-), PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | De Sanctis, D, Dewilde, S, Pesce, A, Moens, L, Ascenzi, P, Hankeln, T, Burmester, T, Bolognesi, M. | | Deposit date: | 2004-02-23 | | Release date: | 2004-06-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mapping Protein Matrix Cavities in Human Cytoglobin Through Xe Atom Binding
Biochem.Biophys.Res.Commun., 316, 2004
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1GZQ
 | | CD1b in complex with Phophatidylinositol | | Descriptor: | 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE, B2-MICROGLOBULIN, DOCOSANE, ... | | Authors: | Gadola, S.D, Zaccai, N.R, Harlos, K, Shepherd, D, Ritter, G, Schmidt, R.R, Jones, E.Y, Cerundolo, V. | | Deposit date: | 2002-05-24 | | Release date: | 2002-07-31 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of Human Cd1B with Bound Ligands at 2.3 A, a Maze for Alkyl Chains
Nat.Immunol., 3, 2002
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6ZE1
 | | human NBD1 of CFTR in complex with nanobody G11a | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, ... | | Authors: | Garcia-Pino, A, Govaerts, C, Scholl, D, Sigoillot, M. | | Deposit date: | 2020-06-15 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | A topological switch in CFTR modulates channel activity and sensitivity to unfolding.
Nat.Chem.Biol., 17, 2021
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