5VCS
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![BU of 5vcs by Molmil](/molmil-images/mine/5vcs) | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with Bound Acceptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, ... | Authors: | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2017-03-31 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.799 Å) | Cite: | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5VR8
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5VCR
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![BU of 5vcr by Molmil](/molmil-images/mine/5vcr) | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase with bound uranium dioxide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase, CHLORIDE ION, ... | Authors: | Sanders, J.H, Kadirvelraj, R, Wood, Z.A. | Deposit date: | 2017-03-31 | Release date: | 2018-04-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | HumanN-acetylglucosaminyltransferase II substrate recognition uses a modular architecture that includes a convergent exosite. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1XP8
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![BU of 1xp8 by Molmil](/molmil-images/mine/1xp8) | Deinococcus radiodurans RecA in complex with ATP-gamma-S | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, RecA protein | Authors: | Bell, C.E, Rajan, R. | Deposit date: | 2004-10-08 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of RecA from Deinococcus radiodurans: insights into the structural basis of extreme radioresistance. J.Mol.Biol., 344, 2004
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7X7N
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![BU of 7x7n by Molmil](/molmil-images/mine/7x7n) | 3D model of the 3-RBD up single trimeric spike protein of SARS-CoV2 in the presence of synthetic peptide SIH-5. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, Synthetic peptide SIH-5 | Authors: | Khatri, B, Pramanick, I, Malladi, S.K, Rajmani, R.S, Kumar, S, Ghosh, P, Sengupta, N, Rahisuddin, R, Kumaran, S, Ringe, R.P, Varadarajan, R, Dutta, S, Chatterjee, J. | Deposit date: | 2022-03-10 | Release date: | 2022-04-27 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (4.47 Å) | Cite: | A dimeric proteomimetic prevents SARS-CoV-2 infection by dimerizing the spike protein. Nat.Chem.Biol., 18, 2022
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1D5H
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![BU of 1d5h by Molmil](/molmil-images/mine/1d5h) | Rnase s(f8a). mutant ribonucleasE S. | Descriptor: | RNASE S, S PEPTIDE, SULFATE ION | Authors: | Ratnaparkhi, G.S, Varadarajan, R. | Deposit date: | 1999-10-07 | Release date: | 1999-10-20 | Last modified: | 2018-03-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Thermodynamic and structural studies of cavity formation in proteins suggest that loss of packing interactions rather than the hydrophobic effect dominates the observed energetics. Biochemistry, 39, 2000
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1D5D
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1FEV
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6Q6F
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![BU of 6q6f by Molmil](/molmil-images/mine/6q6f) | Crystal structure of IDH1 R132H in complex with HMS101 | Descriptor: | (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine, Isocitrate dehydrogenase [NADP] cytoplasmic | Authors: | Chaturvedi, A, Goparaju, R, Gupta, C, Kluenemann, T, Araujo Cruz, M.M, Kloos, A, Goerlich, K, Schottmann, R, Struys, E.A, Ganser, A, Preller, M, Heuser, M. | Deposit date: | 2018-12-10 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | In vivo efficacy of mutant IDH1 inhibitor HMS-101 and structural resolution of distinct binding site. Leukemia, 34, 2020
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2RLN
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1NKG
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![BU of 1nkg by Molmil](/molmil-images/mine/1nkg) | Rhamnogalacturonan lyase from Aspergillus aculeatus | Descriptor: | CALCIUM ION, Rhamnogalacturonase B, SULFATE ION | Authors: | McDonough, M.A, Kadirvelraj, R, Harris, P, Poulsen, J.C, Larsen, S. | Deposit date: | 2003-01-03 | Release date: | 2004-05-25 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Rhamnogalacturonan lyase reveals a unique three-domain modular structure for polysaccharide lyase family 4. Febs Lett., 565, 2004
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1KEB
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![BU of 1keb by Molmil](/molmil-images/mine/1keb) | Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin | Descriptor: | COPPER (II) ION, Thioredoxin 1 | Authors: | Rudresh, Jain, R, Dani, V, Mitra, A, Srivastava, S, Sarma, S.P, Varadarajan, R, Ramakumar, S. | Deposit date: | 2001-11-15 | Release date: | 2002-11-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Consequences of Replacement of an alpha-helical Pro Residue in E.coli Thioredoxin PROTEIN ENG., 15, 2002
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1D5E
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1SGU
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![BU of 1sgu by Molmil](/molmil-images/mine/1sgu) | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | Descriptor: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2004-02-24 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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1SH9
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![BU of 1sh9 by Molmil](/molmil-images/mine/1sh9) | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | Descriptor: | POL polyprotein, RITONAVIR | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, McKenna, R, Abanje-McKenna, M, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2004-02-25 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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6OID
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![BU of 6oid by Molmil](/molmil-images/mine/6oid) | Redox Regulation of FN3K from Arabidopsis thaliana | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Wood, Z.A, Kadirvelraj, R, Shrestha, S. | Deposit date: | 2019-04-09 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.365 Å) | Cite: | A redox-active switch in fructosamine-3-kinases expands the regulatory repertoire of the protein kinase superfamily. Sci.Signal., 13, 2020
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5WHW
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![BU of 5whw by Molmil](/molmil-images/mine/5whw) | Using sound pulses to solve the crystal harvesting bottleneck | Descriptor: | 1,2-ETHANEDIOL, BICINE, CALCIUM ION, ... | Authors: | Soares, A.S, Brennan, H.M, Natarajan, R, McCarthy, L, Leroy, L. | Deposit date: | 2017-07-18 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Using sound pulses to solve the crystal-harvesting bottleneck. Acta Crystallogr D Struct Biol, 74, 2018
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5KQF
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![BU of 5kqf by Molmil](/molmil-images/mine/5kqf) | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine (compound 12) bound to BACE1 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1 | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | Deposit date: | 2016-07-06 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59, 2016
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5KR8
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![BU of 5kr8 by Molmil](/molmil-images/mine/5kr8) | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine (compound 5) bound to BACE1 | Descriptor: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine, Beta-secretase 1, IODIDE ION | Authors: | Lewis, H.A, Wu, Y.J, Rajamani, R, Thompson, L.A. | Deposit date: | 2016-07-07 | Release date: | 2016-09-07 | Last modified: | 2016-10-05 | Method: | X-RAY DIFFRACTION (2.118 Å) | Cite: | Discovery of S3-Truncated, C-6 Heteroaryl Substituted Aminothiazine beta-Site APP Cleaving Enzyme-1 (BACE1) Inhibitors. J.Med.Chem., 59, 2016
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7EPG
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7EPI
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7EPJ
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3CWG
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![BU of 3cwg by Molmil](/molmil-images/mine/3cwg) | Unphosphorylated mouse STAT3 core fragment | Descriptor: | Signal transducer and activator of transcription 3 | Authors: | Ren, Z, Mao, X, Mertens, C, Krishnaraj, R, Qin, J, Mandal, P.K, Romanowshi, M.J, McMurray, J.S. | Deposit date: | 2008-04-21 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Crystal structure of unphosphorylated STAT3 core fragment. Biochem.Biophys.Res.Commun., 374, 2008
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1J80
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![BU of 1j80 by Molmil](/molmil-images/mine/1j80) | Osmolyte Stabilization of RNase | Descriptor: | RIBONUCLEASE PANCREATIC, SULFATE ION | Authors: | Ratnaparkhi, G.S, Varadarajan, R. | Deposit date: | 2001-05-19 | Release date: | 2001-06-06 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Osmolytes stabilize ribonuclease S by stabilizing its fragments S protein and S peptide to compact folding-competent states. J.Biol.Chem., 276, 2001
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1J82
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![BU of 1j82 by Molmil](/molmil-images/mine/1j82) | Osmolyte Stabilization of RNase | Descriptor: | RIBONUCLEASE PANCREATIC, SULFATE ION | Authors: | Ratnaparkhi, G.S, Varadarajan, R. | Deposit date: | 2001-05-19 | Release date: | 2001-06-06 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Osmolytes stabilize ribonuclease S by stabilizing its fragments S protein and S peptide to compact folding-competent states. J.Biol.Chem., 276, 2001
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