4HXW
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![BU of 4hxw by Molmil](/molmil-images/mine/4hxw) | Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. | Descriptor: | (3R)-1-[5-chloro-6-ethyl-2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine, DNA gyrase subunit B, TERTIARY-BUTYL ALCOHOL | Authors: | Bensen, D.C, Trzoss, M, Tari, L.W. | Deposit date: | 2012-11-12 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
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8Y0X
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![BU of 8y0x by Molmil](/molmil-images/mine/8y0x) | Dormant ribosome with SERBP1 | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Du, M, Zeng, F. | Deposit date: | 2024-01-23 | Release date: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The global structure of dormant ribosome To Be Published
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7KVV
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![BU of 7kvv by Molmil](/molmil-images/mine/7kvv) | Crystal structure of Squash RNA aptamer in complex with DFHBI-1T | Descriptor: | (5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-[(E)-(hydroxyimino)methyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, Squash RNA aptamer bound to DFHO | Authors: | Truong, L, Ferre-D'Amare, A.R. | Deposit date: | 2020-11-28 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold. Nat.Chem.Biol., 18, 2022
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7KVT
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![BU of 7kvt by Molmil](/molmil-images/mine/7kvt) | Crystal structure of Squash RNA aptamer in complex with DFHBI-1T with iridium (III) ions | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ... | Authors: | Truong, L, Ferre-D'Amare, A.R. | Deposit date: | 2020-11-28 | Release date: | 2022-01-19 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold. Nat.Chem.Biol., 18, 2022
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7KVU
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![BU of 7kvu by Molmil](/molmil-images/mine/7kvu) | Crystal structure of Squash RNA aptamer in complex with DFHBI-1T | Descriptor: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Truong, L, Ferre-D'Amare, A.R. | Deposit date: | 2020-11-28 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold. Nat.Chem.Biol., 18, 2022
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4HCV
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![BU of 4hcv by Molmil](/molmil-images/mine/4hcv) | Crystal structure of ITK in complex with compound 53 | Descriptor: | 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide, Tyrosine-protein kinase ITK/TSK | Authors: | Han, S, Caspers, N. | Deposit date: | 2012-10-01 | Release date: | 2012-11-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
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5ZKQ
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![BU of 5zkq by Molmil](/molmil-images/mine/5zkq) | Crystal structure of the human platelet-activating factor receptor in complex with ABT-491 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide, Platelet-activating factor receptor,Endolysin,Endolysin,Platelet-activating factor receptor, ... | Authors: | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | Deposit date: | 2018-03-25 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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4J99
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![BU of 4j99 by Molmil](/molmil-images/mine/4j99) | |
5WTJ
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![BU of 5wtj by Molmil](/molmil-images/mine/5wtj) | Crystal structure of an endonuclease | Descriptor: | CRISPR-associated endoribonuclease C2c2 | Authors: | Liu, L, Wang, Y. | Deposit date: | 2016-12-13 | Release date: | 2017-02-08 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Two Distant Catalytic Sites Are Responsible for C2c2 RNase Activities Cell, 168, 2017
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4IF2
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![BU of 4if2 by Molmil](/molmil-images/mine/4if2) | |
4JPO
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![BU of 4jpo by Molmil](/molmil-images/mine/4jpo) | 5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1 | Descriptor: | 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3 | Authors: | Lovell, S, Battaile, K.P, Singh, R, Roelofs, J. | Deposit date: | 2013-03-19 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Reconfiguration of the proteasome during chaperone-mediated assembly. Nature, 497, 2013
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4J95
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![BU of 4j95 by Molmil](/molmil-images/mine/4j95) | |
7VLM
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![BU of 7vlm by Molmil](/molmil-images/mine/7vlm) | crystal structure of anti-CRISPR protein AcrIIA18 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, H2C7, ... | Authors: | Zhang, H, Wang, X.S, Li, X.Z. | Deposit date: | 2021-10-04 | Release date: | 2021-12-01 | Last modified: | 2023-07-05 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Inhibition mechanisms of CRISPR-Cas9 by AcrIIA17 and AcrIIA18 Nucleic Acids Res., 50, 2022
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5ZBZ
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![BU of 5zbz by Molmil](/molmil-images/mine/5zbz) | Crystal structure of the DEAD domain of Human eIF4A with sanguinarine | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION | Authors: | Ding, Y, Ding, L. | Deposit date: | 2018-02-14 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.30860257 Å) | Cite: | Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling. Cell Chem Biol, 26, 2019
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5ZKP
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![BU of 5zkp by Molmil](/molmil-images/mine/5zkp) | Crystal structure of the human platelet-activating factor receptor in complex with SR 27417 | Descriptor: | FLAVIN MONONUCLEOTIDE, N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine, Platelet-activating factor receptor,Flavodoxin,Platelet-activating factor receptor | Authors: | Cao, C, Zhao, Q, Zhang, X.C, Wu, B. | Deposit date: | 2018-03-25 | Release date: | 2018-06-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural basis for signal recognition and transduction by platelet-activating-factor receptor. Nat. Struct. Mol. Biol., 25, 2018
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4JQE
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![BU of 4jqe by Molmil](/molmil-images/mine/4jqe) | Crystal structure of scCK2 alpha in complex with AMPPN | Descriptor: | Casein kinase II subunit alpha, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Liu, H. | Deposit date: | 2013-03-20 | Release date: | 2014-03-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway. Acta Crystallogr.,Sect.D, 70, 2014
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4J98
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![BU of 4j98 by Molmil](/molmil-images/mine/4j98) | |
4J97
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![BU of 4j97 by Molmil](/molmil-images/mine/4j97) | |
4J96
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![BU of 4j96 by Molmil](/molmil-images/mine/4j96) | |
4OKS
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![BU of 4oks by Molmil](/molmil-images/mine/4oks) | |
7CWQ
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![BU of 7cwq by Molmil](/molmil-images/mine/7cwq) | Crystal structure of a novel cutinase from Burkhoderiales bacterium RIFCSPLOWO2_02_FULL_57_36 | Descriptor: | DLH domain-containing protein, SULFATE ION | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-08-30 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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7CY0
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![BU of 7cy0 by Molmil](/molmil-images/mine/7cy0) | Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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4QQ5
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![BU of 4qq5 by Molmil](/molmil-images/mine/4qq5) | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex With FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations | Descriptor: | Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide | Authors: | Huang, Z, Mohammadi, M. | Deposit date: | 2014-06-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | DFG-out Mode of Inhibition by an Irreversible Type-1 Inhibitor Capable of Overcoming Gate-Keeper Mutations in FGF Receptors. Acs Chem.Biol., 10, 2015
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4QQJ
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4QQT
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![BU of 4qqt by Molmil](/molmil-images/mine/4qqt) | |