6QLJ
| Crystal structure of F181Q UbiX in complex with an oxidised N5-C1' adduct derived from DMAP | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, Flavin prenyltransferase UbiX, PHOSPHATE ION, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The UbiX flavin prenyltransferase reaction mechanism resembles class I terpene cyclase chemistry. Nat Commun, 10, 2019
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7KFK
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6IB0
| The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 3a | Descriptor: | 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one, Dual specificity mitogen-activated protein kinase kinase 7, TETRAETHYLENE GLYCOL | Authors: | Wolle, P, Hardick, J, Mueller, M.P, Rauh, D. | Deposit date: | 2018-11-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors. J.Med.Chem., 62, 2019
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4TWK
| Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Octyl Glucose Neopentyl Glycol, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Tessitore, A, Goubin, S, Strain-Damerell, C, Mukhopadhyay, S, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Grieben, M, Shrestha, L, Ang, J.H, Mackenzie, A, Quigley, A, Bushell, S.R, Shintre, C.A, Faust, B, Chu, A, Dong, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P. | Deposit date: | 2014-06-30 | Release date: | 2014-08-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) To Be Published
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5OAW
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5W58
| Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | Deposit date: | 2017-06-14 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.267 Å) | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site. J. Biol. Chem., 293, 2018
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8FT8
| The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation | Descriptor: | CHLORIDE ION, GLYCEROL, POTASSIUM ION, ... | Authors: | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | Deposit date: | 2023-01-11 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits. Acta Crystallogr D Struct Biol, 79, 2023
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7N0U
| Complex of recombinant Bet v 1 with Fab fragment of REGN5713 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, REGN5713 Fab fragment heavy chain, REGN5713 Fab fragment light chain, ... | Authors: | Franklin, M.C, Romero Hernandez, A. | Deposit date: | 2021-05-26 | Release date: | 2021-08-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Targeting immunodominant Bet v 1 epitopes with monoclonal antibodies prevents the birch allergic response. J.Allergy Clin.Immunol., 149, 2022
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5O3N
| Crystal structure of E. cloacae 3,4-dihydroxybenzoic acid decarboxylase (AroY) reconstituted with prFMN | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 3,4-dihydroxybenzoate decarboxylase, GLYCEROL, ... | Authors: | Marshall, S.A, Leys, D. | Deposit date: | 2017-05-24 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Regioselective para-Carboxylation of Catechols with a Prenylated Flavin Dependent Decarboxylase. Angew. Chem. Int. Ed. Engl., 56, 2017
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6C2W
| Crystal structure of human prothrombin mutant S101C/A470C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... | Authors: | Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. | Deposit date: | 2018-01-09 | Release date: | 2018-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (4.12 Å) | Cite: | Structure of prothrombin in the closed form reveals new details on the mechanism of activation. Sci Rep, 8, 2018
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8WDQ
| Crystal Structure of Pseudomonas aeruginosa SuhB in complex with D-myo-inositol-1-phosphate | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Yadav, V.K, Maji, S, Shukla, M, Bhattacharyya, S. | Deposit date: | 2023-09-15 | Release date: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Pseudomonas aeruginosa SuhB in complex with D-myo-inositol-1-phosphate To Be Published
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7YQ8
| Cryo-EM structure of human topoisomerase II beta in complex with DNA and etoposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, 50-mer DNA, DNA topoisomerase 2-beta, ... | Authors: | Naganuma, M, Ehara, H, Kim, D, Nakagawa, R, Cong, A, Bu, H, Jeong, J, Jang, J, Schellenberg, M.J, Bunch, H, Sekine, S. | Deposit date: | 2022-08-05 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | ERK2-topoisomerase II regulatory axis is important for gene activation in immediate early genes. Nat Commun, 14, 2023
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5YZD
| Crystal structure of the prefusion form of measles virus fusion protein in complex with a fusion inhibitor peptide (FIP) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, glycoprotein F1,measles virus fusion protein, ... | Authors: | Hashiguchi, T, Fukuda, Y, Matsuoka, R, Kuroda, D, Kubota, M, Shirogane, Y, Watanabe, S, Tsumoto, K, Kohda, D, Plemper, R.K, Yanagi, Y. | Deposit date: | 2017-12-14 | Release date: | 2018-02-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.636 Å) | Cite: | Structures of the prefusion form of measles virus fusion protein in complex with inhibitors. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3L3V
| Structure of HIV-1 integrase core domain in complex with sucrose | Descriptor: | CADMIUM ION, POL polyprotein, SULFATE ION, ... | Authors: | Wielens, J, Chalmers, D.K, Scanlon, M.J, Parker, M.W. | Deposit date: | 2009-12-18 | Release date: | 2010-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site Febs Lett., 584, 2010
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8FT6
| The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Ala-Ala linker variant, SUMO tag-free preparation. | Descriptor: | CITRIC ACID, IODIDE ION, SULFATE ION, ... | Authors: | Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D. | Deposit date: | 2023-01-11 | Release date: | 2023-03-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits. Acta Crystallogr D Struct Biol, 79, 2023
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7ZHB
| Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-glucose (conformation 2) | Descriptor: | 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D. | Deposit date: | 2022-04-06 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint To Be Published
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7ZKC
| Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (apo form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, UDP-glucose-glycoprotein glucosyltransferase-like protein | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D. | Deposit date: | 2022-04-12 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint. Iscience, 26, 2023
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3KW4
| Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine | Descriptor: | 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ... | Authors: | Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R. | Deposit date: | 2009-11-30 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry, 49, 2010
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3KWX
| Chemically modified Taka alpha-amylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase A type-1/2, CALCIUM ION | Authors: | Siddiqui, K.S, Harrop, S.J, Poljak, A, De Francisci, D, Guerriero, G, Pilak, O, Burg, D, Raftery, M.J, Parkin, D.M, Trewhella, J, Cavicchioli, R. | Deposit date: | 2009-12-01 | Release date: | 2009-12-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Modified alpha-amylase with a molten-globule state has enhanced thermal stability To be Published
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6TKL
| Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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4ZPV
| Structure of MERS-Coronavirus Spike Receptor-binding Domain (England1 Strain) in Complex with Vaccine-Elicited Murine Neutralizing Antibody D12 (Crystal Form 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D12 Fab Heavy chain, D12 Fab light chain, ... | Authors: | Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D. | Deposit date: | 2015-05-08 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Evaluation of candidate vaccine approaches for MERS-CoV. Nat Commun, 6, 2015
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6TKI
| Tsetse thrombin inhibitor in complex with human alpha-thrombin - tetragonal form at 12.7keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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7JZ4
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2VJA
| Torpedo Californica Acetylcholinesterase In Complex With A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic space group - Dataset A at 100K | Descriptor: | (4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Colletier, J.P, Bourgeois, D, Fournier, D, Silman, I, Sussman, J.L, Weik, M. | Deposit date: | 2007-12-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
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7ZLU
| Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-2-deoxy-2-fluoro-D-glucose | Descriptor: | 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Ibba, R. | Deposit date: | 2022-04-15 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint. Iscience, 26, 2023
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