6V6Z
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![BU of 6v6z by Molmil](/molmil-images/mine/6v6z) | Crystal structure of N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine bound to human Keap1 Kelch domain | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DITHIANE DIOL, FORMIC ACID, ... | Authors: | Lazzara, P.R, David, B.P, Ankireddy, A, Richardson, B.G, Dye, K, Ratia, K.M, Reddy, S.P, Moore, T.W. | Deposit date: | 2019-12-06 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Evaluation of Noncovalent Naphthalene-Based KEAP1-NRF2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
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4WK8
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![BU of 4wk8 by Molmil](/molmil-images/mine/4wk8) | FOXP3 forms a domain-swapped dimer to bridge DNA | Descriptor: | DNA (5'-D(*AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*G)-3'), Forkhead box protein P3 | Authors: | Chen, Y, Chen, L. | Deposit date: | 2014-10-01 | Release date: | 2015-01-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.4006 Å) | Cite: | DNA binding by FOXP3 domain-swapped dimer suggests mechanisms of long-range chromosomal interactions. Nucleic Acids Res., 43, 2015
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6VCB
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![BU of 6vcb by Molmil](/molmil-images/mine/6vcb) | Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator | Descriptor: | 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | Authors: | Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K. | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into probe-dependent positive allosterism of the GLP-1 receptor. Nat.Chem.Biol., 16, 2020
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5JQT
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![BU of 5jqt by Molmil](/molmil-images/mine/5jqt) | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | Descriptor: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, 2,1-benzoxaborol-1(3H)-ol, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | Authors: | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | Deposit date: | 2016-05-05 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem.Commun.(Camb.), 52, 2016
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5JZ7
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![BU of 5jz7 by Molmil](/molmil-images/mine/5jz7) | NGF IN COMPLEX WITH MEDI578 scFv | Descriptor: | Beta-nerve growth factor, MEDI578 scFv, heavy chain, ... | Authors: | Olsson, L.-L, Aagaard, A. | Deposit date: | 2016-05-16 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo. Sci Rep, 6, 2016
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4YOG
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![BU of 4yog by Molmil](/molmil-images/mine/4yog) | HKU4-3CLpro bound to non-covalent inhibitor 3B | Descriptor: | 3C-like proteinase, ACETATE ION, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide | Authors: | St John, S.E, Mesecar, A. | Deposit date: | 2015-03-11 | Release date: | 2015-08-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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5J8A
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![BU of 5j8a by Molmil](/molmil-images/mine/5j8a) | Structure of the E coli 70S ribosome with the U1052G mutation in 16S rRNA bound to tigecycline | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | Authors: | Cocozaki, A, Ferguson, A. | Deposit date: | 2016-04-07 | Release date: | 2016-07-06 | Last modified: | 2016-08-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors. Proc.Natl.Acad.Sci.USA, 113, 2016
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1OC2
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1AI3
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![BU of 1ai3 by Molmil](/molmil-images/mine/1ai3) | ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-11-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
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5IT8
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![BU of 5it8 by Molmil](/molmil-images/mine/5it8) | High-resolution structure of the Escherichia coli ribosome | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | Authors: | Cocozaki, A, Ferguson, A. | Deposit date: | 2016-03-16 | Release date: | 2016-07-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors. Proc.Natl.Acad.Sci.USA, 113, 2016
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4YGX
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![BU of 4ygx by Molmil](/molmil-images/mine/4ygx) | |
4YH1
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6VYC
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![BU of 6vyc by Molmil](/molmil-images/mine/6vyc) | Crystal structure of WD-repeat domain of human WDR91 | Descriptor: | UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | Authors: | Halabelian, L, Hutchinson, A, Li, Y, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-26 | Release date: | 2020-03-25 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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5JWD
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![BU of 5jwd by Molmil](/molmil-images/mine/5jwd) | Crystal structure of H-2Db in complex with the LCMV-derived GP392-401 peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Buratto, J, Badia-Martinez, D, Norstrom, M, Sandalova, T, Achour, A. | Deposit date: | 2016-05-12 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of H-2Db in complex with the LCMV-derived peptides GP92 and GP392 explain pleiotropic effects of glycosylation on antigen presentation and immunogenicity. PLoS ONE, 12, 2017
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5K5S
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![BU of 5k5s by Molmil](/molmil-images/mine/5k5s) | Crystal structure of the active form of human calcium-sensing receptor extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor. Elife, 5, 2016
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4YZI
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![BU of 4yzi by Molmil](/molmil-images/mine/4yzi) | Crystal structure of blue-shifted channelrhodopsin mutant (T198G/G202A) | Descriptor: | OLEIC ACID, RETINAL, Sensory opsin A,Archaeal-type opsin 2, ... | Authors: | Kato, H.E, Kamiya, M, Ishitani, R, Hayashi, S, Nureki, O. | Deposit date: | 2015-03-25 | Release date: | 2015-05-27 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomistic design of microbial opsin-based blue-shifted optogenetics tools. Nat Commun, 6, 2015
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5KBQ
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![BU of 5kbq by Molmil](/molmil-images/mine/5kbq) | Pak1 in complex with bis-anilino pyrimidine inhibitor | Descriptor: | Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | Authors: | Ferguson, A. | Deposit date: | 2016-06-03 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett, 7, 2016
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1O7Y
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![BU of 1o7y by Molmil](/molmil-images/mine/1o7y) | Crystal structure of IP-10 M-form | Descriptor: | SMALL INDUCIBLE CYTOKINE B10, SULFATE ION | Authors: | Swaminathan, G.J, Holloway, D.E, Papageorgiou, A.C, Acharya, K.R. | Deposit date: | 2002-11-20 | Release date: | 2003-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structures of Oligomeric Forms of the Ip-10/Cxcl10 Chemokine Structure, 11, 2003
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6VRT
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1LD8
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![BU of 1ld8 by Molmil](/molmil-images/mine/1ld8) | Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 49 | Descriptor: | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI AZA-CYCLOOCTADECOSINE-9-CARBONITRILE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | Authors: | Taylor, J.S, Terry, K.L, Beese, L.S. | Deposit date: | 2002-04-08 | Release date: | 2002-06-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. J.Med.Chem., 45, 2002
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5K5T
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![BU of 5k5t by Molmil](/molmil-images/mine/5k5t) | Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Extracellular calcium-sensing receptor, ... | Authors: | Geng, Y, Mosyak, L, Kurinov, I, Zuo, H, Sturchler, E, Cheng, T.C, Subramanyam, P, Brown, A.P, Brennan, S.C, Mun, H.-C, Bush, M, Chen, Y, Nguyen, T, Cao, B, Chang, D, Quick, M, Conigrave, A, Colecraft, H.M, McDonald, P, Fan, Q.R. | Deposit date: | 2016-05-23 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural mechanism of ligand activation in human calcium-sensing receptor. Elife, 5, 2016
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6W35
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![BU of 6w35 by Molmil](/molmil-images/mine/6w35) | |
1NMT
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![BU of 1nmt by Molmil](/molmil-images/mine/1nmt) | |
1I9F
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![BU of 1i9f by Molmil](/molmil-images/mine/1i9f) | STRUCTURAL CHARACTERIZATION OF THE COMPLEX OF THE REV RESPONSE ELEMENT RNA WITH A SELECTED PEPTIDE | Descriptor: | REV RESPONSE ELEMENT RNA, RSG-1.2 PEPTIDE | Authors: | Zhang, Q, Harada, K, Cho, H.S, Frankel, A, Wemmer, D.E. | Deposit date: | 2001-03-19 | Release date: | 2001-05-25 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural characterization of the complex of the Rev response element RNA with a selected peptide. Chem.Biol., 8, 2001
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5KJK
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![BU of 5kjk by Molmil](/molmil-images/mine/5kjk) | SMYD2 in complex with AZ370 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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