2ORZ
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![BU of 2orz by Molmil](/molmil-images/mine/2orz) | Structural Basis for Ligand Binding and Heparin Mediated Activation of Neuropilin | Descriptor: | Neuropilin-1, Tuftsin | Authors: | Vander Kooi, C.W, Jusino, M.A, Perman, B, Neau, D.B, Bellamy, H.D, Leahy, D.J. | Deposit date: | 2007-02-05 | Release date: | 2007-04-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for ligand and heparin binding to neuropilin B domains. Proc.Natl.Acad.Sci.Usa, 104, 2007
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2OYT
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![BU of 2oyt by Molmil](/molmil-images/mine/2oyt) | Crystal Structure of UNG2/DNA(TM) | Descriptor: | DNA strand1, DNA strand2, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Krosky, D.J, Stivers, J.T, Amzel, L.M. | Deposit date: | 2007-02-22 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Enzymatic capture of an extrahelical thymine in the search for uracil in DNA. Nature, 449, 2007
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2L7F
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![BU of 2l7f by Molmil](/molmil-images/mine/2l7f) | |
2LPM
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![BU of 2lpm by Molmil](/molmil-images/mine/2lpm) | |
2LD6
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![BU of 2ld6 by Molmil](/molmil-images/mine/2ld6) | |
2LEY
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![BU of 2ley by Molmil](/molmil-images/mine/2ley) | Solution structure of (R7G)-Crp4 | Descriptor: | Alpha-defensin 4 | Authors: | Rosengren, K, Andersson, H.S, Haugaard-Kedstrom, L.M, Bengtsson, E, Daly, N.L, Figueredo, S.M, Qu, X, Craik, D.J, Ouellette, A.J. | Deposit date: | 2011-06-26 | Release date: | 2012-05-16 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance. Amino Acids, 43, 2012
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2LHT
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![BU of 2lht by Molmil](/molmil-images/mine/2lht) | Solution structure of Venturia inaequalis cellophane-induced 1 protein (ViCin1) domains 1 and 2 | Descriptor: | Cellophane-induced protein 1 | Authors: | Mesarich, C.H, Schmitz, M, Tremouilhac, P, Greenwood, D.R, Mcgillivray, D.J, Templeton, M.D, Dingley, A.J. | Deposit date: | 2011-08-16 | Release date: | 2012-07-18 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure, dynamics and domain organization of the repeat protein Cin1 from the apple scab fungus. Biochim.Biophys.Acta, 1824, 2012
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2PF5
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![BU of 2pf5 by Molmil](/molmil-images/mine/2pf5) | Crystal Structure of the Human TSG-6 Link Module | Descriptor: | NONAETHYLENE GLYCOL, SULFATE ION, Tumor necrosis factor-inducible protein TSG-6 | Authors: | Higman, V.A, Mahoney, D.J, Noble, M.E.M, Day, A.J. | Deposit date: | 2007-04-04 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Plasticity of the TSG-6 HA-binding loop and mobility in the TSG-6-HA complex revealed by NMR and X-ray crystallography J.Mol.Biol., 371, 2007
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2P83
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![BU of 2p83 by Molmil](/molmil-images/mine/2p83) | Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1 | Descriptor: | Beta-secretase 1, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE, PHOSPHATE ION | Authors: | Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J. | Deposit date: | 2007-03-21 | Release date: | 2007-06-19 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1. Bioorg.Med.Chem.Lett., 17, 2007
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2P0B
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2P8X
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![BU of 2p8x by Molmil](/molmil-images/mine/2p8x) | Fitted structure of ADPR-eEF2 in the 80S:ADPR-eEF2:GDPNP cryo-EM reconstruction | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Elongation factor 2, Elongation factor Tu-B, ... | Authors: | Taylor, D.J, Nilsson, J, Merrill, A.R, Andersen, G.R, Nissen, P, Frank, J. | Deposit date: | 2007-03-23 | Release date: | 2007-05-08 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (9.7 Å) | Cite: | Structures of modified eEF2.80S ribosome complexes reveal the role of GTP hydrolysis in translocation. Embo J., 26, 2007
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2P8Y
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![BU of 2p8y by Molmil](/molmil-images/mine/2p8y) | Fitted structure of ADPR-eEF2 in the 80S:ADPR-eEF2:GDP:sordarin cryo-EM reconstruction | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Elongation factor 2, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Taylor, D.J, Nilsson, J, Merrill, A.R, Andersen, G.R, Nissen, P, Frank, J. | Deposit date: | 2007-03-23 | Release date: | 2007-05-08 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (11.7 Å) | Cite: | Structures of modified eEF2.80S ribosome complexes reveal the role of GTP hydrolysis in translocation. Embo J., 26, 2007
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2Z1H
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![BU of 2z1h by Molmil](/molmil-images/mine/2z1h) | Crystal structure of E.coli RNase HI surface charged mutant(Q4R/T92K/Q105K/Q113R/Q115K/N143K/T145K) | Descriptor: | Ribonuclease HI | Authors: | You, D.J, Fukuchi, S, Nishikawa, K, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2007-05-08 | Release date: | 2007-11-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Protein Thermostabilization Requires a Fine-tuned Placement of Surface-charged Residues J.Biochem.(Tokyo), 142, 2007
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2Z1G
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![BU of 2z1g by Molmil](/molmil-images/mine/2z1g) | Crystal structure of E.coli RNase HI surface charged mutant(Q4R/T40E/Q72H/Q76K/Q80E/T92K/Q105K) | Descriptor: | Ribonuclease HI | Authors: | You, D.J, Fukuchi, S, Nishikawa, K, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2007-05-08 | Release date: | 2007-11-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein Thermostabilization Requires a Fine-tuned Placement of Surface-charged Residues J.Biochem.(Tokyo), 142, 2007
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2Z1I
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![BU of 2z1i by Molmil](/molmil-images/mine/2z1i) | Crystal structure of E.coli RNase HI surface charged mutant(Q4R/T40E/Q72H/Q76K/Q80E/T92K/Q105K/Q113R/Q115K) | Descriptor: | Ribonuclease HI | Authors: | You, D.J, Fukuchi, S, Nishikawa, K, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2007-05-08 | Release date: | 2007-11-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein Thermostabilization Requires a Fine-tuned Placement of Surface-charged Residues J.Biochem.(Tokyo), 142, 2007
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2Z1J
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![BU of 2z1j by Molmil](/molmil-images/mine/2z1j) | Crystal structure of E.coli RNase HI surface charged mutant(Q4R/T40E/Q72H/Q76K/Q80E/T92K/Q105K/Q113R/Q115K/N143K/T145K) | Descriptor: | Ribonuclease HI | Authors: | You, D.J, Fukuchi, S, Nishikawa, K, Koga, Y, Takano, K, Kanaya, S. | Deposit date: | 2007-05-08 | Release date: | 2007-11-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Protein Thermostabilization Requires a Fine-tuned Placement of Surface-charged Residues J.Biochem.(Tokyo), 142, 2007
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5KNJ
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![BU of 5knj by Molmil](/molmil-images/mine/5knj) | Pseudokinase Domain of MLKL bound to Compound 1. | Descriptor: | 1-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea, Mixed lineage kinase domain-like protein | Authors: | Marcotte, D.J. | Deposit date: | 2016-06-28 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | ATP-Competitive MLKL Binders Have No Functional Impact on Necroptosis. Plos One, 11, 2016
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5E9Z
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![BU of 5e9z by Molmil](/molmil-images/mine/5e9z) | Cytochrome P450 BM3 mutant M11 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, ... | Authors: | Capoferri, L, Leth, R, ter Haar, E, Mohanty, A.K, Grootenhuis, D.J, Vottero, E, Commandeur, J.N.M, Vermeulen, N.P.E, Jorgensen, F.S, Olsen, L, Geerke, D.P. | Deposit date: | 2015-10-15 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84, 2016
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6NZM
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![BU of 6nzm by Molmil](/molmil-images/mine/6nzm) | Brutons tyrosine kinase in complex with compound 50. | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J. | Deposit date: | 2019-02-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Optimization of novel reversible Bruton's tyrosine kinase inhibitors identified using Tethering-fragment-based screens. Bioorg.Med.Chem., 27, 2019
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3U2Q
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![BU of 3u2q by Molmil](/molmil-images/mine/3u2q) | EF-Tu (Escherichia coli) in complex with NVP-LFF571 | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Palestrant, D.J. | Deposit date: | 2011-10-04 | Release date: | 2012-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of LFF571: an investigational agent for Clostridium difficile infection. J.Med.Chem., 55, 2012
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3U6B
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![BU of 3u6b by Molmil](/molmil-images/mine/3u6b) | Ef-tu (escherichia coli) in complex with nvp-ldi028 | Descriptor: | Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Palestrant, D.J. | Deposit date: | 2011-10-12 | Release date: | 2012-02-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Antibacterial optimization of 4-aminothiazolyl analogues of the natural product GE2270 A: identification of the cycloalkylcarboxylic acids. J.Med.Chem., 54, 2011
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7KTQ
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![BU of 7ktq by Molmil](/molmil-images/mine/7ktq) | Nucleosome from a dimeric PRC2 bound to a nucleosome | Descriptor: | 601 DNA (167-MER), Histone H2A, Histone H2B, ... | Authors: | Grau, D.J, Armache, K.J. | Deposit date: | 2020-11-24 | Release date: | 2021-02-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction. Nat Commun, 12, 2021
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8FLH
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![BU of 8flh by Molmil](/molmil-images/mine/8flh) | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]azepan-1-yl}ethan-1-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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8FLG
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![BU of 8flg by Molmil](/molmil-images/mine/8flg) | Bruton's tyrosine kinase in complex with an orthosteric inhibitor | Descriptor: | DIMETHYL SULFOXIDE, N~2~-(3-chlorophenyl)-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]glycinamide, Tyrosine-protein kinase BTK | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-21 | Release date: | 2023-03-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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8FLV
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![BU of 8flv by Molmil](/molmil-images/mine/8flv) | Bruton's tyrosine kinase in complex with compound 34 | Descriptor: | 2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Metrick, C.M, Marcotte, D.J. | Deposit date: | 2022-12-22 | Release date: | 2023-04-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of structural diverse reversible BTK inhibitors utilized to develop a novel in vivo CD69 and CD86 PK/PD mouse model. Bioorg.Med.Chem.Lett., 80, 2023
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