6VTU
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![BU of 6vtu by Molmil](/molmil-images/mine/6vtu) | DH717.1 Fab monomer in complex with man9 glycan | Descriptor: | DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ... | Authors: | Fera, D, Bronkema, N. | Deposit date: | 2020-02-13 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies. Cell, 184, 2021
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6VXG
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![BU of 6vxg by Molmil](/molmil-images/mine/6vxg) | Structure of the C-terminal Domain of RAGE and Its Inhibitor | Descriptor: | Advanced glycosylation end product-specific receptor, N-(4-{7-cyano-4-[(morpholin-4-yl)methyl]quinolin-2-yl}phenyl)acetamide | Authors: | Ramirez, L, Shekhtman, A. | Deposit date: | 2020-02-21 | Release date: | 2021-02-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Small-molecule antagonism of the interaction of the RAGE cytoplasmic domain with DIAPH1 reduces diabetic complications in mice. Sci Transl Med, 13, 2021
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5ZVD
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![BU of 5zvd by Molmil](/molmil-images/mine/5zvd) | |
7DM2
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![BU of 7dm2 by Molmil](/molmil-images/mine/7dm2) | crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170 | Descriptor: | PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ... | Authors: | Ma, B, Freund, N, Xiang, Y. | Deposit date: | 2020-12-01 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis. Nat Commun, 12, 2021
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7DM1
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![BU of 7dm1 by Molmil](/molmil-images/mine/7dm1) | crystal structure of the M.tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-36 | Descriptor: | PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ... | Authors: | Ma, B, Freund, N, Xiang, Y. | Deposit date: | 2020-12-01 | Release date: | 2020-12-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis. Nat Commun, 12, 2021
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5ZVG
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![BU of 5zvg by Molmil](/molmil-images/mine/5zvg) | |
5ZVE
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![BU of 5zve by Molmil](/molmil-images/mine/5zve) | |
5ZVH
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![BU of 5zvh by Molmil](/molmil-images/mine/5zvh) | |
4Q0I
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![BU of 4q0i by Molmil](/molmil-images/mine/4q0i) | Deinococcus radiodurans BphP PAS-GAF D207A mutant | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome, ISOPROPYL ALCOHOL | Authors: | Burgie, E.S, Vierstra, R.D. | Deposit date: | 2014-04-02 | Release date: | 2014-07-16 | Last modified: | 2014-09-17 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion. J.Biol.Chem., 289, 2014
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5I8N
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4Q0J
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![BU of 4q0j by Molmil](/molmil-images/mine/4q0j) | Deinococcus radiodurans BphP photosensory module | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome | Authors: | Burgie, E.S, Vierstra, R.D. | Deposit date: | 2014-04-02 | Release date: | 2014-07-16 | Last modified: | 2014-09-17 | Method: | X-RAY DIFFRACTION (2.747 Å) | Cite: | Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion. J.Biol.Chem., 289, 2014
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4Q0H
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![BU of 4q0h by Molmil](/molmil-images/mine/4q0h) | Deinococcus radiodurans BphP PAS-GAF | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome, CHLORIDE ION, ... | Authors: | Burgie, E.S, Vierstra, R.D. | Deposit date: | 2014-04-02 | Release date: | 2014-07-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.157 Å) | Cite: | Crystallographic and Electron Microscopic Analyses of a Bacterial Phytochrome Reveal Local and Global Rearrangements during Photoconversion. J.Biol.Chem., 289, 2014
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4Y52
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![BU of 4y52 by Molmil](/molmil-images/mine/4y52) | Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, L, Chong, J, Wang, D. | Deposit date: | 2015-02-11 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex. Nature, 523, 2015
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4YDV
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![BU of 4ydv by Molmil](/molmil-images/mine/4ydv) | STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS | Descriptor: | HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606) | Authors: | Nicely, N.I, Pemble IV, C.W. | Deposit date: | 2015-02-23 | Release date: | 2015-08-12 | Last modified: | 2021-03-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques. Plos Pathog., 11, 2015
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4QT1
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3ZC6
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![BU of 3zc6 by Molmil](/molmil-images/mine/3zc6) | Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxidanylidene-propan-2-yl]-2-(6-fluoranyl-1-methyl-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, ... | Authors: | Kuglstatter, A, Jestel, A, Nagel, S, Boettcher, J, Blaesse, M. | Deposit date: | 2012-11-16 | Release date: | 2013-09-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Strategic Use of Conformational Bias and Structure Based Design to Identify Potent Jak3 Inhibitors with Improved Selectivity Against the Jak Family and the Kinome. Bioorg.Med.Chem.Lett., 23, 2013
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4X0S
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![BU of 4x0s by Molmil](/molmil-images/mine/4x0s) | Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69). | Descriptor: | CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ... | Authors: | Spencer, R.K, Salveson, P.J, Nowick, J.S. | Deposit date: | 2014-11-23 | Release date: | 2015-05-06 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.032 Å) | Cite: | X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin. J.Am.Chem.Soc., 137, 2015
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4WKY
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![BU of 4wky by Molmil](/molmil-images/mine/4wky) | Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 | Descriptor: | 1,2-ETHANEDIOL, Beta-ketoacyl synthase, GLYCEROL, ... | Authors: | Cuff, M.E, Mack, J.C, Endres, M, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-10-03 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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4Z7P
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![BU of 4z7p by Molmil](/molmil-images/mine/4z7p) | X-ray structure of racemic ShK Q16K toxin | Descriptor: | Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION | Authors: | Sickmier, E.A. | Deposit date: | 2015-04-07 | Release date: | 2015-09-09 | Last modified: | 2015-09-23 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3. J.Med.Chem., 58, 2015
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4TYO
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![BU of 4tyo by Molmil](/molmil-images/mine/4tyo) | PPIase in complex with a non-phosphate small molecule inhibitor. | Descriptor: | 3-(6-fluoro-1H-benzimidazol-2-yl)-N-(naphthalen-2-ylcarbonyl)-D-alanine, GLYCEROL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Greasley, S.E, Ferre, R.A. | Deposit date: | 2014-07-08 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket. Bioorg.Med.Chem.Lett., 24, 2014
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4Y7N
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![BU of 4y7n by Molmil](/molmil-images/mine/4y7n) | The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation. | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, L, Chong, J, Wang, D. | Deposit date: | 2015-02-15 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex. Nature, 523, 2015
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5KUP
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![BU of 5kup by Molmil](/molmil-images/mine/5kup) | Bruton's tyrosine kinase (BTK) with pyridazinone compound 9 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 6-~{tert}-butyl-8-fluoranyl-2-[3-(hydroxymethyl)-4-[1-methyl-6-oxidanylidene-5-(pyrimidin-4-ylamino)pyridin-3-yl]pyridin-2-yl]phthalazin-1-one, GLYCEROL, ... | Authors: | Eigenbrot, C, Yu, C. | Deposit date: | 2016-07-13 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Battling Btk Mutants With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations. Acs Chem.Biol., 11, 2016
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4U3F
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![BU of 4u3f by Molmil](/molmil-images/mine/4u3f) | Cytochrome bc1 complex from chicken with designed inhibitor bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CARDIOLIPIN, ... | Authors: | Huang, L.-S, Zhu, X.-L, Yang, G.F, Berry, E.A. | Deposit date: | 2014-07-21 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2312 Å) | Cite: | Rational Design of Highly Potent and Slow-Binding Cytochrome bc1 Inhibitor as Fungicide by Computational Substitution Optimization Sci Rep, 5, 2015
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4ZHQ
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![BU of 4zhq by Molmil](/molmil-images/mine/4zhq) | Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-26 | Release date: | 2016-07-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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4ZI7
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![BU of 4zi7 by Molmil](/molmil-images/mine/4zi7) | CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Y, Zhang, R. | Deposit date: | 2015-04-27 | Release date: | 2016-07-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules Mol.Pharmacol., 89, 2016
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