7CSY
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![BU of 7csy by Molmil](/molmil-images/mine/7csy) | Pseudomonas aeruginosa antitoxin HigA with higBA promoter | Descriptor: | DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ... | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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6NWZ
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![BU of 6nwz by Molmil](/molmil-images/mine/6nwz) | Crystal structure of Agd3 a novel carbohydrate deacetylase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Bamford, N.C, Howell, P.L. | Deposit date: | 2019-02-07 | Release date: | 2020-02-12 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical characterization of the exopolysaccharide deacetylase Agd3 required for Aspergillus fumigatus biofilm formation. Nat Commun, 11, 2020
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4XR5
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![BU of 4xr5 by Molmil](/molmil-images/mine/4xr5) | X-ray structure of the unliganded thymidine phosphorylase from Salmonella typhimurium at 2.05 A resolution | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, ... | Authors: | Balaev, V.V, Lashkov, A.A, Gabdulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2015-01-20 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. Acta Crystallogr.,Sect.F, 72, 2016
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5MJD
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![BU of 5mjd by Molmil](/molmil-images/mine/5mjd) | metNgb under oxygen at 80 bar | Descriptor: | Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P. | Deposit date: | 2016-11-30 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments. Iucrj, 6, 2019
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5MJC
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![BU of 5mjc by Molmil](/molmil-images/mine/5mjc) | metNeuroglobin under oxygen at 50 bar | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Neuroglobin, OXYGEN MOLECULE, ... | Authors: | Prange, T, Colloc'h, N, Carpentier, P, Vallone, B. | Deposit date: | 2016-11-30 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments. Iucrj, 6, 2019
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4YGV
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![BU of 4ygv by Molmil](/molmil-images/mine/4ygv) | Reversal Agent for Dabigatran | Descriptor: | GLYCEROL, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-26 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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7YQA
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![BU of 7yqa by Molmil](/molmil-images/mine/7yqa) | Crystal structure of D-threonine aldolase from Chlamydomonas reinhardtii | Descriptor: | D-threonine aldolase, MAGNESIUM ION | Authors: | Hirato, Y, Goto, M, Mizobuchi, T, Muramatsu, H, Tanigawa, M, Nishimura, K. | Deposit date: | 2022-08-05 | Release date: | 2023-02-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of pyridoxal 5'-phosphate-bound D-threonine aldolase from Chlamydomonas reinhardtii. Acta Crystallogr.,Sect.F, 79, 2023
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4YHM
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![BU of 4yhm by Molmil](/molmil-images/mine/4yhm) | Reversal Agent for Dabigatran | Descriptor: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2b heavy chain, aDabi-Fab2b light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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4YHI
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![BU of 4yhi by Molmil](/molmil-images/mine/4yhi) | Reversal Agent for Dabigatran | Descriptor: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, aDabi-Fab2a light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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4YHO
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![BU of 4yho by Molmil](/molmil-images/mine/4yho) | Reversal Agent for Dabigatran | Descriptor: | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab3 heavy chain, aDabi-Fab3 light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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4YHK
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![BU of 4yhk by Molmil](/molmil-images/mine/4yhk) | Reversal Agent for Dabigatran | Descriptor: | GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, ... | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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4YHL
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![BU of 4yhl by Molmil](/molmil-images/mine/4yhl) | Reversal Agent for Dabigatran | Descriptor: | aDabi-Fab2b heavy chain, aDabi-Fab2b light chain | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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8FWA
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![BU of 8fwa by Molmil](/molmil-images/mine/8fwa) | Phycocyanin structure from a modular droplet injector for serial femtosecond crystallography | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN, ... | Authors: | Botha, S, Doppler, D.L, Sonker, M, Egatz-Gomez, A, Grieco, A, Zaare, S, Jernigan, R, Meza-Aguilar, J.D, Rabbani, M.T, Manna, A, Alvarez, R, Karpos, K, Cruz Villarreal, J, Nelson, G, Ketawala, G.K, Pey, A.L, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Nazari, R, Sierra, R, Hunter, M.S, Batyuk, A, Kupitz, C.J, Sublett, R.E, Lisova, S, Mariani, V, Boutet, S, Fromme, R, Grant, T.D, Fromme, P, Kirian, R.A, Martin-Garcia, J.M, Ros, A. | Deposit date: | 2023-01-20 | Release date: | 2023-06-28 | Last modified: | 2023-07-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme. Lab Chip, 23, 2023
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4QN1
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![BU of 4qn1 by Molmil](/molmil-images/mine/4qn1) | Crystal Structure of a Functionally Uncharacterized Domain of E3 Ubiquitin Ligase SHPRH | Descriptor: | E3 ubiquitin-protein ligase SHPRH, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Zhang, Q, Li, Y, Walker, J.R, Guan, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of a Function Uncharacterized Domain of E3 Ubiquitin Ligase SHPRH To be Published
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6Q5N
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![BU of 6q5n by Molmil](/molmil-images/mine/6q5n) | Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24Nle | Descriptor: | 1,4-DIETHYLENE DIOXIDE, CC-Hex*-L24Nle, GLYCEROL | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6PWY
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![BU of 6pwy by Molmil](/molmil-images/mine/6pwy) | Structure of C. elegans ZK177.8, SAMHD1 ortholog | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lim, C.S, Maehigashi, T, Wade, L.R, Bowen, N, Knecht, K, Xiong, Y, Kim, B. | Deposit date: | 2019-07-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | ZK177.8 of Caenorhabditis elegans:
Aicardi-Goutieres Syndrome SAMHD1 Ortholog To Be Published
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5OHJ
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![BU of 5ohj by Molmil](/molmil-images/mine/5ohj) | Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor. | Descriptor: | MAGNESIUM ION, ZINC ION, [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate, ... | Authors: | Rizzi, A, Carzaniga, L, Armani, E. | Deposit date: | 2017-07-17 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases. J. Med. Chem., 60, 2017
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8J30
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![BU of 8j30 by Molmil](/molmil-images/mine/8j30) | Crystal structure of ApNGT with Q469A and M218A mutations in complex with UDP-GLC | Descriptor: | UDP-glucose:protein N-beta-glucosyltransferase, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Feng, Y, Hao, Z, Guo, Q, Zheng, J, Da, L, Peng, W. | Deposit date: | 2023-04-15 | Release date: | 2023-08-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Investigation of the Catalytic Mechanism of a Soluble N-glycosyltransferase Allows Synthesis of N-glycans at Noncanonical Sequons. Jacs Au, 3, 2023
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6Q5R
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![BU of 6q5r by Molmil](/molmil-images/mine/6q5r) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-LL-KgEb | Descriptor: | CC-Hex*-LL-KgEb, GLYCEROL | Authors: | Beesley, J.L, Rhys, G.G, Wood, C.W, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5H
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![BU of 6q5h by Molmil](/molmil-images/mine/6q5h) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24D | Descriptor: | AMMONIUM ION, CC-Hex*-L24D, SULFATE ION | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5K
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![BU of 6q5k by Molmil](/molmil-images/mine/6q5k) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24K | Descriptor: | AMMONIUM ION, CC-Hex*-L24K, GLYCEROL, ... | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5Q
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![BU of 6q5q by Molmil](/molmil-images/mine/6q5q) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex-KgEb | Descriptor: | CC-Hex-KgEb, L(+)-TARTARIC ACID | Authors: | Zaccai, N.R, Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5J
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![BU of 6q5j by Molmil](/molmil-images/mine/6q5j) | Crystal structure of a CC-Hex mutant that forms a parallel six-helix coiled coil CC-Hex*-L24E | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Hex*-L24E | Authors: | Rhys, G.G, Wood, C.W, Beesley, J.L, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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6Q5M
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![BU of 6q5m by Molmil](/molmil-images/mine/6q5m) | Crystal structure of a CC-Hex mutant that forms an antiparallel four-helix coiled coil CC-Hex*-L24Dab | Descriptor: | CC-Hex*-L24Dab, SODIUM ION | Authors: | Wood, C.W, Beesley, J.L, Rhys, G.G, Brady, R.L, Woolfson, D.N. | Deposit date: | 2018-12-09 | Release date: | 2019-05-22 | Last modified: | 2019-06-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles. J.Am.Chem.Soc., 141, 2019
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7Q7K
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![BU of 7q7k by Molmil](/molmil-images/mine/7q7k) | JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol | Descriptor: | 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2 | Authors: | Rowland, P. | Deposit date: | 2021-11-09 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism. J.Med.Chem., 65, 2022
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