5IX9
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![BU of 5ix9 by Molmil](/molmil-images/mine/5ix9) | Cell surface anchoring domain | Descriptor: | Antifreeze protein | Authors: | Guo, S, Langelaan, D. | Deposit date: | 2016-03-23 | Release date: | 2017-06-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Sci Adv, 3, 2017
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4OCK
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![BU of 4ock by Molmil](/molmil-images/mine/4ock) | N-acetylhexosamine 1-phosphate kinase in complex with GlcNAc and AMPPNP | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetylhexosamine 1-phosphate kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Li, T.L, Wang, K.C, Lyu, S.Y, Liu, Y.C, Chang, C.Y, Wu, C.J. | Deposit date: | 2014-01-09 | Release date: | 2014-05-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Insights into the binding specificity and catalytic mechanism of N-acetylhexosamine 1-phosphate kinases through multiple reaction complexes. Acta Crystallogr.,Sect.D, 70, 2014
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4LLG
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![BU of 4llg by Molmil](/molmil-images/mine/4llg) | Crystal Structure Analysis of the E.coli holoenzyme/Gp2 complex | Descriptor: | Bacterial RNA polymerase inhibitor, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Bae, B, Darst, S.A. | Deposit date: | 2013-07-09 | Release date: | 2013-11-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.7936 Å) | Cite: | Phage T7 Gp2 inhibition of Escherichia coli RNA polymerase involves misappropriation of sigma 70 domain 1.1. Proc.Natl.Acad.Sci.USA, 110, 2013
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5WFR
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![BU of 5wfr by Molmil](/molmil-images/mine/5wfr) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | Deposit date: | 2017-07-12 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
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4RHD
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![BU of 4rhd by Molmil](/molmil-images/mine/4rhd) | DNA Duplex with Novel ZP Base Pair | Descriptor: | DNA 9mer novel P nucleobase, DNA 9mer novel Z nucleobase, MAGNESIUM ION | Authors: | Zhang, W, Zhang, L, Benner, S, Huang, Z. | Deposit date: | 2014-10-01 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Evolution of functional six-nucleotide DNA. J.Am.Chem.Soc., 137, 2015
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5JUH
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![BU of 5juh by Molmil](/molmil-images/mine/5juh) | Crystal structure of C-terminal domain (RV) of MpAFP | Descriptor: | Antifreeze protein, CALCIUM ION | Authors: | Guo, S. | Deposit date: | 2016-05-10 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice. Sci Adv, 3, 2017
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4LPL
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![BU of 4lpl by Molmil](/molmil-images/mine/4lpl) | Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-16 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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5WMG
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![BU of 5wmg by Molmil](/molmil-images/mine/5wmg) | N-terminal bromodomain of BRD4 in complex with OTX-015 | Descriptor: | 1,2-ETHANEDIOL, 4-{6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1S)-1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl}benzoic acid, Bromodomain-containing protein 4 | Authors: | Zhang, Y. | Deposit date: | 2017-07-28 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov, 8, 2018
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2ZOP
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![BU of 2zop by Molmil](/molmil-images/mine/2zop) | X-ray crystal structure of a CRISPR-associated Cmr5 family protein from Thermus thermophilus HB8 | Descriptor: | Putative uncharacterized protein TTHB164, SULFATE ION | Authors: | Sakamoto, K, Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2008-05-28 | Release date: | 2009-02-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray crystal structure of a CRISPR-associated RAMP superfamily protein, Cmr5, from Thermus thermophilus HB8 Proteins, 75, 2009
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7AY6
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![BU of 7ay6 by Molmil](/molmil-images/mine/7ay6) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b | Descriptor: | 1,2-ETHANEDIOL, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ... | Authors: | Torretta, A, Abbate, S, Parisini, E. | Deposit date: | 2020-11-11 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur.J.Med.Chem., 223, 2021
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4K59
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![BU of 4k59 by Molmil](/molmil-images/mine/4k59) | |
5KAE
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![BU of 5kae by Molmil](/molmil-images/mine/5kae) | |
1Z9F
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![BU of 1z9f by Molmil](/molmil-images/mine/1z9f) | |
4QRU
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![BU of 4qru by Molmil](/molmil-images/mine/4qru) | Crystal Structure of HLA B*0801 in complex with ELR_MYM, ELRRKMMYM | Descriptor: | 55 kDa immediate-early protein 1, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Gras, S, Twist, K.-A, Rossjohn, J. | Deposit date: | 2014-07-02 | Release date: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular imprint of exposure to naturally occurring genetic variants of human cytomegalovirus on the T cell repertoire. Sci Rep, 4, 2014
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6UMG
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![BU of 6umg by Molmil](/molmil-images/mine/6umg) | Crystal structure of erenumab Fab bound to the extracellular domain of CGRP receptor | Descriptor: | Calcitonin gene-related peptide type 1 receptor, Receptor activity-modifying protein 1, erenumab Fab heavy chain, ... | Authors: | Mohr, C. | Deposit date: | 2019-10-09 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab). Cell Rep, 30, 2020
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1ZTT
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![BU of 1ztt by Molmil](/molmil-images/mine/1ztt) | Netropsin bound to d(CTTAATTCGAATTAAG) in complex with MMLV RT catalytic fragment | Descriptor: | 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', NETROPSIN, ... | Authors: | Goodwin, K.D, Long, E.C, Georgiadis, M.M. | Deposit date: | 2005-05-27 | Release date: | 2005-08-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A host-guest approach for determining drug-DNA interactions: an example using netropsin. Nucleic Acids Res., 33, 2005
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1ZYJ
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![BU of 1zyj by Molmil](/molmil-images/mine/1zyj) | Human P38 MAP Kinase in Complex with Inhibitor 1a | Descriptor: | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Karpusas, M, Michelotti, E.L, Springman, E.B. | Deposit date: | 2005-06-10 | Release date: | 2005-11-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. Bioorg.Med.Chem.Lett., 15, 2005
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1ZZ2
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![BU of 1zz2 by Molmil](/molmil-images/mine/1zz2) | Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | Descriptor: | Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside | Authors: | Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M. | Deposit date: | 2005-06-13 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. Bioorg.Med.Chem.Lett., 15, 2005
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7B9H
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![BU of 7b9h by Molmil](/molmil-images/mine/7b9h) | Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a | Descriptor: | 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ... | Authors: | Torretta, A, Abbate, S, Parisini, E. | Deposit date: | 2020-12-14 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors. Eur.J.Med.Chem., 223, 2021
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4MV1
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![BU of 4mv1 by Molmil](/molmil-images/mine/4mv1) | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with ADP and Phosphate | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, ... | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | Deposit date: | 2013-09-23 | Release date: | 2015-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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3BEV
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![BU of 3bev by Molmil](/molmil-images/mine/3bev) | |
3AZU
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![BU of 3azu by Molmil](/molmil-images/mine/3azu) | |
1ZX8
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![BU of 1zx8 by Molmil](/molmil-images/mine/1zx8) | |
1ZTW
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![BU of 1ztw by Molmil](/molmil-images/mine/1ztw) | |
5WFP
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![BU of 5wfp by Molmil](/molmil-images/mine/5wfp) | Ligand-bound Ras:SOS:Ras complex | Descriptor: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | Deposit date: | 2017-07-12 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling. Anal. Biochem., 548, 2018
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