2IS7
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![BU of 2is7 by Molmil](/molmil-images/mine/2is7) | Crystal Structure of Aldose Reductase complexed with Dichlorophenylacetic acid | Descriptor: | (2,6-DICHLOROPHENYL)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Milne, A, Brownlee, J.M. | Deposit date: | 2006-10-16 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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1T47
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![BU of 1t47 by Molmil](/molmil-images/mine/1t47) | Structure of fe2-HPPD bound to NTBC | Descriptor: | 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, FE (II) ION | Authors: | Brownlee, J, Johnson-Winters, K, Harrison, D.H.T, Moran, G.R. | Deposit date: | 2004-04-28 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Ferrous Form of (4-Hydroxyphenyl)pyruvate Dioxygenase from Streptomyces avermitilis in Complex with the Therapeutic Herbicide, NTBC Biochemistry, 43, 2004
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5KO1
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![BU of 5ko1 by Molmil](/molmil-images/mine/5ko1) | Pseudokinase Domain of MLKL bound to Compound 4. | Descriptor: | Mixed lineage kinase domain-like protein, [(1~{R})-2-[(4-fluorophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate | Authors: | Marcotte, D.J. | Deposit date: | 2016-06-29 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis. Plos One, 11, 2016
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2IVF
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![BU of 2ivf by Molmil](/molmil-images/mine/2ivf) | Ethylbenzene dehydrogenase from Aromatoleum aromaticum | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | Authors: | Kloer, D.P, Hagel, C, Heider, J, Schulz, G.E. | Deposit date: | 2006-06-13 | Release date: | 2006-09-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of Ethylbenzene Dehydrogenase from Aromatoleum Aromaticum Structure, 14, 2006
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5KWM
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![BU of 5kwm by Molmil](/molmil-images/mine/5kwm) | |
6IX4
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![BU of 6ix4 by Molmil](/molmil-images/mine/6ix4) | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | Deposit date: | 2018-12-09 | Release date: | 2019-12-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity. Int.J.Biol.Macromol., 169, 2021
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7ZSK
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![BU of 7zsk by Molmil](/molmil-images/mine/7zsk) | |
5KXP
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![BU of 5kxp by Molmil](/molmil-images/mine/5kxp) | Hen Egg White Lysozyme at 278K, Data set 2 | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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7T1K
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![BU of 7t1k by Molmil](/molmil-images/mine/7t1k) | Crystal structure of a superbinder Fes SH2 domain (sFes1) in complex with a high affinity phosphopeptide | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MALONATE ION, ... | Authors: | Martyn, G.D, Singer, A.U, Veggiani, G, Kurinov, I, Sicheri, F, Sidhu, S.S. | Deposit date: | 2021-12-02 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Engineered SH2 Domains for Targeted Phosphoproteomics. Acs Chem.Biol., 17, 2022
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5KXY
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![BU of 5kxy by Molmil](/molmil-images/mine/5kxy) | Hen Egg White Lysozyme at 278K, Data set 8 | Descriptor: | Lysozyme C, SODIUM ION | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-20 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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2IEI
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![BU of 2iei by Molmil](/molmil-images/mine/2iei) | Crystal structure of rabbit muscle glycogen phosphorylase in complex with 3,4-dihydro-2-quinolone | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | Authors: | Birch, A.M, Kenny, P.W, Oikonomakos, N.G, Otterbein, L, Schofield, P, Whittamore, P.R.O, Whalley, D.P, Rowsell, S, Pauptit, R, Pannifer, A, Breed, J, Minshull, C. | Deposit date: | 2006-09-19 | Release date: | 2006-12-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2J63
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![BU of 2j63 by Molmil](/molmil-images/mine/2j63) | Crystal structure of AP endonuclease LMAP from Leishmania major | Descriptor: | AP-ENDONUCLEASE | Authors: | Vidal, A.E, Harkiolaki, M, Gallego, C, Castillo-Acosta, V.M, Ruiz-Perez, L.M, Wilson, K.S, Gonzalez-Pacanowska, D. | Deposit date: | 2006-09-25 | Release date: | 2007-08-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal Structure and DNA Repair Activities of the Ap Endonuclease from Leishmania Major. J.Mol.Biol., 373, 2007
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8A2P
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![BU of 8a2p by Molmil](/molmil-images/mine/8a2p) | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | Descriptor: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | Deposit date: | 2022-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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8A2O
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![BU of 8a2o by Molmil](/molmil-images/mine/8a2o) | Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | Deposit date: | 2022-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
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2IJ3
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![BU of 2ij3 by Molmil](/molmil-images/mine/2ij3) | Structure of the A264H mutant of cytochrome P450 BM3 | Descriptor: | Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Toogood, H.S, Leys, D. | Deposit date: | 2006-09-29 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3. J.Biol.Chem., 282, 2007
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5KUL
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![BU of 5kul by Molmil](/molmil-images/mine/5kul) | Human cyclophilin A at 100K, Data set 1 | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | Deposit date: | 2016-07-13 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage. J Synchrotron Radiat, 24, 2017
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1TD3
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![BU of 1td3 by Molmil](/molmil-images/mine/1td3) | Crystal structure of VSHP_BPP21 in space group C2 | Descriptor: | Head decoration protein | Authors: | Chang, C, Forrer, P, Ott, D, Wlodawer, A, Plueckthun, A. | Deposit date: | 2004-05-21 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Kinetic Stability and Crystal Structure of the Viral Capsid Protein SHP. J.Mol.Biol., 344, 2004
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1TEU
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![BU of 1teu by Molmil](/molmil-images/mine/1teu) | Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II | Descriptor: | Carbonic anhydrase II, ZINC ION | Authors: | Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. | Deposit date: | 2004-05-25 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
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7TA2
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![BU of 7ta2 by Molmil](/molmil-images/mine/7ta2) | Crystal structure of the human sperm-expressed surface protein SPACA6 | Descriptor: | BROMIDE ION, Sperm acrosome membrane-associated protein 6 | Authors: | Vance, T.D.R, Yip, P, Jimenez, E, Uson, I, Lee, J.E. | Deposit date: | 2021-12-20 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SPACA6 ectodomain structure reveals a conserved superfamily of gamete fusion-associated proteins. Commun Biol, 5, 2022
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1SZF
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![BU of 1szf by Molmil](/molmil-images/mine/1szf) | A198G:L230A mutant flavocytochrome b2 with pyruvate bound | Descriptor: | Cytochrome b2, mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Mowat, C.G, Wehenkel, A, Green, A.J, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | Deposit date: | 2004-04-05 | Release date: | 2004-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation Biochemistry, 43, 2004
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1TLT
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![BU of 1tlt by Molmil](/molmil-images/mine/1tlt) | Crystal Structure of a Putative Oxidoreductase (VIRULENCE FACTOR mviM HOMOLOG) | Descriptor: | PUTATIVE OXIDOREDUCTASE (VIRULENCE FACTOR mviM HOMOLOG), SULFATE ION | Authors: | Rajashankar, K.R, Solorzano, V, Kniewel, R, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2004-06-09 | Release date: | 2004-06-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of a Putative Oxidoreductase (VIRULENCE FACTOR mviM HOMOLOG) To be Published
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2IKE
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![BU of 2ike by Molmil](/molmil-images/mine/2ike) | Solution Structure of the second Clip domain in PAP2 | Descriptor: | Prophenoloxidase activating proteinase-2 | Authors: | Huang, R.D, Lv, Z.Q, Dai, H.E, Velde, D.V, Prakash, O, Jiang, H.B. | Deposit date: | 2006-10-02 | Release date: | 2007-10-16 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution structure of Clip domain in PAP2 To be Published
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1T72
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![BU of 1t72 by Molmil](/molmil-images/mine/1t72) | Crystal structure of phosphate transport system protein phoU from Aquifex aeolicus | Descriptor: | Phosphate transport system protein phoU homolog | Authors: | Oganesyan, V, Kim, S.-H, Oganesyan, N, Jancarik, J, Adams, P.D, Kim, R, Berkeley Structural Genomics Center (BSGC) | Deposit date: | 2004-05-07 | Release date: | 2004-12-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the "PhoU-like" phosphate uptake regulator from Aquifex aeolicus. J.Bacteriol., 187, 2005
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7T5U
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![BU of 7t5u by Molmil](/molmil-images/mine/7t5u) | Structure of E. coli MS115-1 CapH N-terminal domain | Descriptor: | Helix-turn-helix domain-containing protein, SULFATE ION | Authors: | Lau, R.K, Corbett, K.D. | Deposit date: | 2021-12-13 | Release date: | 2022-09-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. Embo J., 41, 2022
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7T5T
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![BU of 7t5t by Molmil](/molmil-images/mine/7t5t) | Structure of Thauera sp. K11 CapP | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CapP toxin, SULFATE ION, ... | Authors: | Lau, R.K, Corbett, K.D. | Deposit date: | 2021-12-13 | Release date: | 2022-09-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A conserved signaling pathway activates bacterial CBASS immune signaling in response to DNA damage. Embo J., 41, 2022
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