4XBM
| X-ray crystal structure of Notch ligand Delta-like 1 | Descriptor: | Delta-like protein 1, alpha-L-fucopyranose | Authors: | Kershaw, N.J, Burgess, A.W, Church, N.L, Luo, C.S, Adam, T.E. | Deposit date: | 2014-12-17 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Notch ligand delta-like1: X-ray crystal structure and binding affinity. Biochem.J., 468, 2015
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1N43
| Streptavidin Mutant N23A with biotin at 1.89A | Descriptor: | BIOTIN, Streptavidin | Authors: | Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2002-10-30 | Release date: | 2003-09-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin. Acta Crystallogr.,Sect.D, 59, 2003
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6FUV
| Structure of a manno-oligosaccharide specific solute binding protein, BlMnBP2 from Bifidobacterium animalis subsp. lactis ATCC 27673 in complex with mannotriose | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ACETATE ION, Solute Binding Protein, ... | Authors: | Ejby, M, Abou Hachem, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-02-27 | Release date: | 2019-03-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol., 112, 2019
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5L3A
| Fragment-based discovery of 6-arylindazole JAK inhibitors | Descriptor: | Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide | Authors: | Soerensen, M.D, Dack, K.N, Greve, D.R, Ritzen, A. | Deposit date: | 2016-04-06 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors. Acs Med.Chem.Lett., 7, 2016
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8W0W
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7E0H
| LHCII-1 in the state transition supercomplex PSI-LHCI-LHCII from the LhcbM1 lacking mutant of Chlamydomonas reinhardtii | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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2XVA
| Crystal structure of the tellurite detoxification protein TehB from E. coli in complex with sinefungin | Descriptor: | SINEFUNGIN, TELLURITE RESISTANCE PROTEIN TEHB, ZINC ION | Authors: | Choudhury, H.G, Cameron, A.D, Iwata, S, Beis, K. | Deposit date: | 2010-10-25 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Mechanism of the Chalcogen Detoxifying Protein Tehb from Escherichia Coli. Biochem.J., 435, 2011
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3T5F
| Human Thrombin In Complex With MI340 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-07-27 | Release date: | 2012-08-01 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
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8W0V
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5GO1
| Structural, Functional characterization and discovery of novel inhibitors of Leishmania amazonensis Nucleoside Diphosphatase Kinase (NDK) | Descriptor: | Nucleoside diphosphate kinase | Authors: | Mishra, A.K, Agnihotri, P, Singh, S.P, Pratap, J.V. | Deposit date: | 2016-07-26 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of novel inhibitors for Leishmania nucleoside diphosphatase kinase (NDK) based on its structural and functional characterization. J. Comput. Aided Mol. Des., 31, 2017
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3L9K
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6NTL
| Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | Authors: | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | Deposit date: | 2019-01-29 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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4NYV
| Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand | Descriptor: | 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-11 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand TO BE PUBLISHED
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6FXM
| Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Mn2+ | Descriptor: | 2-OXOGLUTARIC 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: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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7E0J
| LHCII-1 in the state transition supercomplex PSI-LHCI-LHCII from the double phosphatase mutant pph1;pbcp of Chlamydomonas reinhardti. | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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5LA5
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2ERS
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6D19
| Crystal structure of KPC-2 complexed with compound 9 | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases. J.Med.Chem., 62, 2019
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5AN4
| Crystal structure of the human 8-oxoguanine glycosylase (OGG1) processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | N-GLYCOSYLASE/DNA LYASE, SULFATE ION | Authors: | Zander, U, Ytre-Arne, M, Dalhus, B, Hoffmann, G, Cornaciu, I, Cipriani, F, Marquez, J.A. | Deposit date: | 2015-09-04 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation. Acta Crystallogr.,Sect.D, 72, 2016
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7E0I
| LHCII-2 in the state transition supercomplex PSI-LHCI-LHCII from the LhcbM1 lacking mutant of Chlamydomonas reinhardti | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Pan, X.W, Li, A.J, Liu, Z.F, Li, M. | Deposit date: | 2021-01-28 | Release date: | 2021-06-30 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Structural basis of LhcbM5-mediated state transitions in green algae. Nat.Plants, 7, 2021
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5B3S
| Bovine heart cytochrome c oxidase in the carbon monoxide-bound mixed-valence state at 1.68 angstrom resolution (50 K) | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Shinzawa-Ito, K, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2016-03-11 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Bovine heart cytochrome c oxidase in the carbon monoxide-bound mixed-valence state at 1.68 angstrom resolution (50 K) To Be Published
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2G32
| Crystal structure of an RNA racemate | Descriptor: | CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ... | Authors: | Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A. | Deposit date: | 2006-02-17 | Release date: | 2006-05-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The first crystal structure of an RNA racemate. Acta Crystallogr.,Sect.D, 62, 2006
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3MUY
| E. coli (lacZ) beta-galactosidase (R599A) | Descriptor: | Beta-D-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Dugdale, M.L, Vance, M, Driedger, M.L, Nibber, A, Tran, A, Huber, R.E. | Deposit date: | 2010-05-03 | Release date: | 2011-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Importance of Arg-599 of beta-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop Biochem.Cell Biol., 88, 2010
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6D2N
| Beta Carbonic anhydrase in complex with a sulfonamide anion | Descriptor: | Carbonic anhydrase, ZINC ION, sulfuric diamide | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6T2S
| Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown | Descriptor: | Glycoside hydrolase family 16 protein, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | Authors: | Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N. | Deposit date: | 2019-10-09 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown. Nat Commun, 11, 2020
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