4XCT
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![BU of 4xct by Molmil](/molmil-images/mine/4xct) | Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain. | Descriptor: | (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ... | Authors: | Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A. | Deposit date: | 2014-12-18 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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8OMD
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![BU of 8omd by Molmil](/molmil-images/mine/8omd) | Crystal structure of mKHK in complex with compound-4 | Descriptor: | Ketohexokinase, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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8OK6
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![BU of 8ok6 by Molmil](/molmil-images/mine/8ok6) | Variant Surface Glycoprotein VSG11 two monomers | Descriptor: | SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | Authors: | Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E. | Deposit date: | 2023-03-27 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey. Plos Negl Trop Dis, 17, 2023
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8OMF
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![BU of 8omf by Molmil](/molmil-images/mine/8omf) | Crystal structure of hKHK-C in complex with compound-4 | Descriptor: | Ketohexokinase, SULFATE ION, compound | Authors: | Ebenhoch, R, Pautsch, A. | Deposit date: | 2023-03-31 | Release date: | 2023-09-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design. Acta Crystallogr D Struct Biol, 79, 2023
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6ZTD
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![BU of 6ztd by Molmil](/molmil-images/mine/6ztd) | Crystal structure of the BCR Fab fragment from subset #169 case P6540 | Descriptor: | Heavy chain of the Fab fragment from BCR derived from the P6540 CLL clone, Light chain of the Fab fragment from BCR derived from the P6540 CLL clone | Authors: | Carriles, A.A, Minici, C, Degano, M. | Deposit date: | 2020-07-18 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Higher-order immunoglobulin repertoire restrictions in CLL: the illustrative case of stereotyped subsets 2 and 169. Blood, 137, 2021
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6RHF
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![BU of 6rhf by Molmil](/molmil-images/mine/6rhf) | Structure of Chloroflexus aggregans Cagg_3753 LOV domain C85A variant (CagFbFP) | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | Authors: | Nazarenko, V.V, Remeeva, A, Yudenko, A, Kovalev, K, Gordeliy, V, Gushchin, I. | Deposit date: | 2019-04-19 | Release date: | 2019-05-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies. Photochem. Photobiol. Sci., 18, 2019
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7PIM
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![BU of 7pim by Molmil](/molmil-images/mine/7pim) | Partial structure of tyrosine hydroxylase lacking the first 35 residues in complex with dopamine. | Descriptor: | FE (III) ION, L-DOPAMINE, Regulatory domain alpha-helix, ... | Authors: | Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I. | Deposit date: | 2021-08-20 | Release date: | 2021-12-22 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation. Nat Commun, 13, 2022
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8P1H
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![BU of 8p1h by Molmil](/molmil-images/mine/8p1h) | Crystal structure of the chimera of human 14-3-3 zeta and phosphorylated cytoplasmic loop fragment of the alpha7 acetylcholine receptor | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, BENZOIC ACID, ... | Authors: | Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Lyukmanova, E.N, Sluchanko, N.N. | Deposit date: | 2023-05-12 | Release date: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure reveals canonical recognition of the phosphorylated cytoplasmic loop of human alpha7 nicotinic acetylcholine receptor by 14-3-3 protein. Biochem.Biophys.Res.Commun., 682, 2023
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7SJN
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![BU of 7sjn by Molmil](/molmil-images/mine/7sjn) | HtrA1:Fab15H6.v4 complex | Descriptor: | Fab15H6.v4 Heavy Chain, Fab15H6.v4 Light Chain, Serine protease HTRA1 | Authors: | Gerhardy, S, Green, E, Estevez, A, Arthur, C.P, Ultsch, M, Rohou, A, Kirchhofer, D. | Deposit date: | 2021-10-18 | Release date: | 2022-09-07 | Last modified: | 2022-09-21 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Allosteric inhibition of HTRA1 activity by a conformational lock mechanism to treat age-related macular degeneration. Nat Commun, 13, 2022
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5LOS
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![BU of 5los by Molmil](/molmil-images/mine/5los) | Piriformospora indica PIIN_05872 | Descriptor: | PIIN_05872, SULFATE ION, ZINC ION | Authors: | Hartmann, M.D, Albrecht, R, Martin, J, Lupas, A.N. | Deposit date: | 2016-08-09 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A secreted fungal histidine- and alanine-rich protein regulates metal ion homeostasis and oxidative stress. New Phytol., 227, 2020
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6O8M
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![BU of 6o8m by Molmil](/molmil-images/mine/6o8m) | Crystal Structure of C9S apo Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulated bound to diamide (tetramethylazodicarboxamide). | Descriptor: | N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide, Transcriptional regulator, ArsR family | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2019-03-11 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structural basis for persulfide-sensing specificity in a transcriptional regulator. Nat.Chem.Biol., 17, 2021
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7PME
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![BU of 7pme by Molmil](/molmil-images/mine/7pme) | Cryo-EM structure of the actomyosin-V complex in the post-rigor transition state (AppNHp, central 3er/2er) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Pospich, S, Sweeney, H.L, Houdusse, A, Raunser, S. | Deposit date: | 2021-09-02 | Release date: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism. Elife, 10, 2021
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8P1B
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![BU of 8p1b by Molmil](/molmil-images/mine/8p1b) | Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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7RUG
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![BU of 7rug by Molmil](/molmil-images/mine/7rug) | Human SERINC3-DeltaICL4 | Descriptor: | Serine incorporator 3, SiA | Authors: | Purdy, M.D, Leonhardt, S.A, Yeager, M. | Deposit date: | 2021-08-17 | Release date: | 2022-08-24 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Antiviral HIV-1 SERINC restriction factors disrupt virus membrane asymmetry. Nat Commun, 14, 2023
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8P1C
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![BU of 8p1c by Molmil](/molmil-images/mine/8p1c) | Lysozyme structure solved from serial crystallography data collected at 1 kHz with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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8P1A
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![BU of 8p1a by Molmil](/molmil-images/mine/8p1a) | Lysozyme structure solved from serial crystallography data collected at 2 kHz for 5 seconds with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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6XMA
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![BU of 6xma by Molmil](/molmil-images/mine/6xma) | Crystal structure of iron-bound LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | Dioxygenase, FE (III) ION, SULFATE ION | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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8P1D
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![BU of 8p1d by Molmil](/molmil-images/mine/8p1d) | Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | Deposit date: | 2023-05-11 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source. Iucrj, 10, 2023
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6U9I
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![BU of 6u9i by Molmil](/molmil-images/mine/6u9i) | Crystal structure of BvnE pinacolase from Penicillium brevicompactum | Descriptor: | BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S. | Deposit date: | 2019-09-09 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Fungal-derived brevianamide assembly by a stereoselective semipinacolase. Nat Catal, 3, 2020
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6ODC
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![BU of 6odc by Molmil](/molmil-images/mine/6odc) | Crystal structure of HDAC8 in complex with compound 30 | Descriptor: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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8ONF
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4XVU
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![BU of 4xvu by Molmil](/molmil-images/mine/4xvu) | Structure of Get3 bound to the transmembrane domain of Nyv1 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATPase GET3, Antibody heavy chain, ... | Authors: | Mateja, A, Paduch, M, Chang, H.-Y, Szydlowska, A, Kossiakoff, A.A, Hegde, R.S, Keenan, R.J. | Deposit date: | 2015-01-28 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Protein targeting. Structure of the Get3 targeting factor in complex with its membrane protein cargo. Science, 347, 2015
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5LXD
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![BU of 5lxd by Molmil](/molmil-images/mine/5lxd) | Crystal structure of DYRK2 in complex with EHT 1610 (compound 2) | Descriptor: | 1,2-ETHANEDIOL, Dual specificity tyrosine-phosphorylation-regulated kinase 2, methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate | Authors: | Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-20 | Release date: | 2016-10-26 | Last modified: | 2017-01-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases. J. Med. Chem., 59, 2016
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6ZW0
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![BU of 6zw0 by Molmil](/molmil-images/mine/6zw0) | |
6ODA
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![BU of 6oda by Molmil](/molmil-images/mine/6oda) | Crystal structure of HDAC8 in complex with compound 2 | Descriptor: | Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ... | Authors: | Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors To Be Published
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