8SLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8slz by Molmil](/molmil-images/mine/8slz) | |
4YYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yyo by Molmil](/molmil-images/mine/4yyo) | Resting state of rat cysteine dioxygenase C164S variant | Descriptor: | CHLORIDE ION, Cysteine dioxygenase type 1, FE (II) ION | Authors: | Fellner, M, Tchesnokov, E.P, Siakkou, E, Rutledge, M.T, Jameson, G.N.L, Wilbanks, S.M. | Deposit date: | 2015-03-24 | Release date: | 2016-06-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Influence of cysteine 164 on active site structure in rat cysteine dioxygenase. J.Biol.Inorg.Chem., 21, 2016
|
|
6NJU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nju by Molmil](/molmil-images/mine/6nju) | Mouse endonuclease G mutant H97A bound to A-DNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DNA (5'-D(CCGGCGCCGG)-3'), ... | Authors: | Vander Zanden, C.M, Ho, E.N, Czarny, R.S, Robertson, A.B, Ho, P.S. | Deposit date: | 2019-01-04 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural adaptation of vertebrate endonuclease G for 5-hydroxymethylcytosine recognition and function. Nucleic Acids Res., 48, 2020
|
|
5GKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5gkd by Molmil](/molmil-images/mine/5gkd) | Structure of PL6 family alginate lyase AlyGC | Descriptor: | AlyGC, CALCIUM ION, CARBONATE ION, ... | Authors: | Zhang, Y.Z, Wang, P, Xu, F. | Deposit date: | 2016-07-04 | Release date: | 2017-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Novel Molecular Insights into the Catalytic Mechanism of Marine Bacterial Alginate Lyase AlyGC from Polysaccharide Lyase Family 6 J. Biol. Chem., 292, 2017
|
|
5NAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nal by Molmil](/molmil-images/mine/5nal) | The crystal structure of inhibitor-15 covalently bound to PDE6D | Descriptor: | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, ~{N}4-[(4-chlorophenyl)methyl]-~{N}1-(cyclohexylmethyl)-~{N}4-cyclopentyl-~{N}1-[(~{Z})-4-[(~{E})-methyliminomethyl]-5-oxidanyl-hex-4-enyl]benzene-1,4-disulfonamide | Authors: | Fansa, E.K, Martin-Gago, P, Waldmann, H, Wittinghofer, A. | Deposit date: | 2017-02-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Covalent Protein Labeling at Glutamic Acids. Cell Chem Biol, 24, 2017
|
|
8RBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rbs by Molmil](/molmil-images/mine/8rbs) | Emiliania huxleyi virus 201 (EhV-201) asymmetrical unit of capsid proteins predicted by AlphaFold2 fitted into the cryo-EM density of EhV-201 virion composite map. | Descriptor: | Major capsid protein, Penton protein | Authors: | Homola, M, Buttner, C.R, Fuzik, T, Novacek, J, Chaillet, M, Forster, F, Plevka, P. | Deposit date: | 2023-12-04 | Release date: | 2023-12-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Structure and replication cycle of a virus infecting climate-modulating alga Emiliania huxleyi. Sci Adv, 10, 2024
|
|
6TFY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tfy by Molmil](/molmil-images/mine/6tfy) | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
|
|
5VWZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vwz by Molmil](/molmil-images/mine/5vwz) | Bak in complex with Bim-h3Pc | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, AMMONIUM ION, Bcl-2 homologous antagonist/killer, ... | Authors: | Brouwer, J.M, Colman, P.M, Czabotar, P.E. | Deposit date: | 2017-05-23 | Release date: | 2017-11-15 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.622 Å) | Cite: | Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design. Mol. Cell, 68, 2017
|
|
6T6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t6c by Molmil](/molmil-images/mine/6t6c) | Complex with chitin oligomer of C-type lysozyme from the upper gastrointestinal tract of Opisthocomus hoatzin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C | Authors: | Taylor, E.J, Skjot, M, Skov, L.K, Klausen, M, De Maria, L, Gippert, G.P, Turkenburg, J.P, Davies, G.J, Wilson, K.S. | Deposit date: | 2019-10-18 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The C-Type Lysozyme from the upper Gastrointestinal Tract of Opisthocomus hoatzin, the Stinkbird. Int J Mol Sci, 20, 2019
|
|
6G0O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0o by Molmil](/molmil-images/mine/6g0o) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated ATRX peptide (K1030ac/K1033ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcriptional regulator ATRX | Authors: | Filippakopoulos, P, Picaud, S, Newman, J, Sorrell, F, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
|
|
6T3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t3w by Molmil](/molmil-images/mine/6t3w) | Coxsackie B3 2C protein in complex with S-Fluoxetine | Descriptor: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 2C protein, SODIUM ION, ... | Authors: | El Kazzi, P, Papageorgiou, N, Ferron, F.P, Bauer, L, van Kuppeveld, F, Coutard, B. | Deposit date: | 2019-10-11 | Release date: | 2020-11-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Fluoxetine targets an allosteric site in the enterovirus 2C AAA+ ATPase and stabilizes a ring-shaped hexameric complex. Sci Adv, 8, 2022
|
|
6T78
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t78 by Molmil](/molmil-images/mine/6t78) | Structure of human Sox11 transcription factor in complex with a short DNA fragment | Descriptor: | DNA (5'-D(*AP*AP*CP*AP*AP*AP*AP*TP*AP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*GP*TP*TP*TP*AP*TP*TP*TP*TP*GP*TP*T)-3'), Transcription factor SOX-11 | Authors: | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | Deposit date: | 2019-10-21 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
|
|
8AMF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8amf by Molmil](/molmil-images/mine/8amf) | Cryo-EM structure of the RecA postsynaptic filament from S. pneumoniae | Descriptor: | DNA, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Protein RecA | Authors: | Perry, T.N, Fronzes, R, Polard, P, Hertzog, M. | Deposit date: | 2022-08-03 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Assembly mechanism and cryoEM structure of RecA recombination nucleofilaments from Streptococcus pneumoniae. Nucleic Acids Res., 51, 2023
|
|
6T8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6t8v by Molmil](/molmil-images/mine/6t8v) | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | Deposit date: | 2019-10-25 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
|
|
6G0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0p by Molmil](/molmil-images/mine/6g0p) | Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcription factor E2F1 | Authors: | Filippakopoulos, P, Picaud, S, Krojer, T, Sorrell, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. | Deposit date: | 2018-03-19 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
|
|
6FY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fy2 by Molmil](/molmil-images/mine/6fy2) | Crystal structure of a V2p-reactive RV144 vaccine-like antibody, CAP228-16H, in complex with a heterologous CAP225 V1V2 | Descriptor: | CAP225 Scaffolded V1V2, CAP228-16H Heavy Chain, CAP228-16H Light Chain, ... | Authors: | Wibmer, C.K, Moore, P.L, Morris, L. | Deposit date: | 2018-03-10 | Release date: | 2018-09-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Common helical V1V2 conformations of HIV-1 Envelope expose the alpha 4 beta 7 binding site on intact virions. Nat Commun, 9, 2018
|
|
8J9T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j9t by Molmil](/molmil-images/mine/8j9t) | Crystal Structure of GyraseA N-terminal at 2.43A Resolution | Descriptor: | CARBONATE ION, DNA gyrase subunit A | Authors: | Salman, M, Sachdeva, E, Das, U, Singh, T.P, Ethayathullah, A.S, Kaur, P. | Deposit date: | 2023-05-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.428 Å) | Cite: | Crystal Structure of GyraseA N-terminal at 2.43A Resolution to be published
|
|
2VQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vqv by Molmil](/molmil-images/mine/2vqv) | Structure of HDAC4 catalytic domain with a gain-of-function mutation bound to a hydroxamic acid inhibitor | Descriptor: | HISTONE DEACETYLASE 4, N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide, POTASSIUM ION, ... | Authors: | Bottomley, M.J, Lo Surdo, P, Di Giovine, P, Cirillo, A, Scarpelli, R, Ferrigno, F, Jones, P, Neddermann, P, De Francesco, R, Steinkuhler, C, Gallinari, P, Carfi, A. | Deposit date: | 2008-03-19 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and Functional Analysis of the Human Hdac4 Catalytic Domain Reveals a Regulatory Structural Zinc-Binding Domain. J.Biol.Chem., 283, 2008
|
|
6TAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tae by Molmil](/molmil-images/mine/6tae) | Neutron structure of ferric ascorbate peroxidase | Descriptor: | Ascorbate peroxidase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Kwon, H, Basran, J, Devos, J.M, Schrader, T.E, Ostermann, A, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2019-10-29 | Release date: | 2020-03-18 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION | Cite: | Visualizing the protons in a metalloenzyme electron proton transfer pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
5CDP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cdp by Molmil](/molmil-images/mine/5cdp) | 2.45A structure of etoposide with S.aureus DNA gyrase and DNA | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Srikannathasan, V, Chan, P.F. | Deposit date: | 2015-07-04 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural basis of DNA gyrase inhibition by antibacterial QPT-1, anticancer drug etoposide and moxifloxacin. Nat Commun, 6, 2015
|
|
4TNK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tnk by Molmil](/molmil-images/mine/4tnk) | RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (5.2 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
|
|
6JTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jtn by Molmil](/molmil-images/mine/6jtn) | Crystal structure of HLA-C08 in complex with a tumor mut10m peptide | Descriptor: | 10-mer peptide, Beta-2-microglobulin, HLA class I antigen, ... | Authors: | Bai, P, Zhou, Q, Wei, P, Yin, L. | Deposit date: | 2019-04-11 | Release date: | 2020-04-15 | Last modified: | 2021-02-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Immune-based mutation classification enables neoantigen prioritization and immune feature discovery in cancer immunotherapy. Oncoimmunology, 10, 2021
|
|
5KI9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ki9 by Molmil](/molmil-images/mine/5ki9) | |
9B37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9b37 by Molmil](/molmil-images/mine/9b37) | Open state of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to one concanavalin A dimer. Composite map. | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I. | Deposit date: | 2024-03-18 | Release date: | 2024-05-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (6.66 Å) | Cite: | Kainate receptor channel opening and gating mechanism. Nature, 630, 2024
|
|
6GVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gva by Molmil](/molmil-images/mine/6gva) | CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR4455 | Descriptor: | 1,2-ETHANEDIOL, 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, BROMIDE ION, ... | Authors: | Skerlova, J, Rezacova, P. | Deposit date: | 2018-06-20 | Release date: | 2019-05-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 3,5,7-Substituted Pyrazolo[4,3- d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. J.Med.Chem., 62, 2019
|
|