6HTY
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![BU of 6hty by Molmil](/molmil-images/mine/6hty) | PXR in complex with P2X4 inhibitor compound 25 | Descriptor: | (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Hillig, R.C, Puetter, V, Werner, S, Mesch, S, Laux-Biehlmann, A, Braeuer, N, Dahloef, H, Klint, J, ter Laak, A, Pook, E, Neagoe, I, Nubbemeyer, R, Schulz, S. | Deposit date: | 2018-10-05 | Release date: | 2019-12-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. J.Med.Chem., 62, 2019
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5M4X
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8BWO
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![BU of 8bwo by Molmil](/molmil-images/mine/8bwo) | Cryo-EM structure of nanodisc-reconstituted human MRP4 with E1202Q mutation (outward-facing occluded conformation) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family C member 4, MAGNESIUM ION | Authors: | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | Deposit date: | 2022-12-07 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4. Structure, 31, 2023
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8BJF
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![BU of 8bjf by Molmil](/molmil-images/mine/8bjf) | Cryo-EM structure of nanodisc-reconstituted wildtype human MRP4 (inward-facing conformation) | Descriptor: | ATP-binding cassette sub-family C member 4, CHOLESTEROL, CHOLESTEROL HEMISUCCINATE | Authors: | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | Deposit date: | 2022-11-04 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4. Structure, 31, 2023
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5V5S
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![BU of 5v5s by Molmil](/molmil-images/mine/5v5s) | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | Descriptor: | Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, Outer membrane protein TolC | Authors: | wang, Z, fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | Deposit date: | 2017-03-15 | Release date: | 2017-04-19 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump. Elife, 6, 2017
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8BWQ
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![BU of 8bwq by Molmil](/molmil-images/mine/8bwq) | Cryo-EM structure of nanodisc-reconstituted wildtype human MRP4 (in complex with topotecan) | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ATP-binding cassette sub-family C member 4 | Authors: | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | Deposit date: | 2022-12-07 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4. Structure, 31, 2023
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8BWP
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![BU of 8bwp by Molmil](/molmil-images/mine/8bwp) | Cryo-EM structure of nanodisc-reconstituted wildtype human MRP4 (in complex with methotrexate) | Descriptor: | ATP-binding cassette sub-family C member 4, METHOTREXATE | Authors: | Raj, I, Bloch, M, Pape, T.H, Taylor, N.M.I. | Deposit date: | 2022-12-07 | Release date: | 2023-08-30 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural and mechanistic basis of substrate transport by the multidrug transporter MRP4. Structure, 31, 2023
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8MSI
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![BU of 8msi by Molmil](/molmil-images/mine/8msi) | TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14SQ44T | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-24 | Release date: | 1999-04-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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8OG3
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![BU of 8og3 by Molmil](/molmil-images/mine/8og3) | E. coli NfsB triple mutant T41L/N71S/F124T bound to citrate | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, FLAVIN MONONUCLEOTIDE, ... | Authors: | Day, M.A, White, S.A, Hyde, E.I, Searle, P.F. | Deposit date: | 2023-03-17 | Release date: | 2023-04-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure and Dynamics of Three Escherichia coli NfsB Nitro-Reductase Mutants Selected for Enhanced Activity with the Cancer Prodrug CB1954. Int J Mol Sci, 24, 2023
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8OIU
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![BU of 8oiu by Molmil](/molmil-images/mine/8oiu) | Cryo-EM reconstruction of the native 24-mer E2o core of the 2-oxoglutarate dehydrogenase complex of C. thermophilum at 3.35 A resolution | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase | Authors: | Skalidis, I, Tueting, C, Kyrilis, F.L, Hamdi, F, Kastritis, P.L. | Deposit date: | 2023-03-23 | Release date: | 2023-05-31 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural analysis of an endogenous 4-megadalton succinyl-CoA-generating metabolon. Commun Biol, 6, 2023
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6XEU
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![BU of 6xeu by Molmil](/molmil-images/mine/6xeu) | CryoEM structure of GIRK2PIP2* - G protein-gated inwardly rectifying potassium channel GIRK2 with PIP2 | Descriptor: | G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION, ... | Authors: | Mathiharan, Y.K, Glaaser, I.W, Skiniotis, G, Slesinger, P.A. | Deposit date: | 2020-06-13 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural insights into GIRK2 channel modulation by cholesterol and PIP2 Cell Rep, 36, 2021
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5S4A
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![BU of 5s4a by Molmil](/molmil-images/mine/5s4a) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z955123498 | Descriptor: | 4-AMINOPYRIDINE, DIMETHYL SULFOXIDE, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.081 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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7R5C
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![BU of 7r5c by Molmil](/molmil-images/mine/7r5c) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-29 (G206C, R207S, D210L, S211V) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Isoaspartyl peptidase, ... | Authors: | Barciszewski, J, Imiolczyk, B, Loch, J.I, Jaskolski, M. | Deposit date: | 2022-02-10 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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7R1G
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![BU of 7r1g by Molmil](/molmil-images/mine/7r1g) | Structure of E.coli Class 2 L-asparaginase EcAIII, mutant RDM1-38 (R207C, D210S, S211V) | Descriptor: | Beta-aspartyl-peptidase, Isoaspartyl peptidase, SODIUM ION | Authors: | Loch, J.I, Kadziolka, K, Jaskolski, M. | Deposit date: | 2022-02-02 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural and biophysical studies of new L-asparaginase variants: lessons from random mutagenesis of the prototypic Escherichia coli Ntn-amidohydrolase. Acta Crystallogr D Struct Biol, 78, 2022
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1S5I
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![BU of 1s5i by Molmil](/molmil-images/mine/1s5i) | Fab (LNKB-2) of monoclonal antibody to Human Interleukin-2, crystal structure | Descriptor: | Fab-fragment of monoclonal antibody | Authors: | Pletnev, V.Z, Goryacheva, E.A, Tsygannik, I.N, Nesmeyanov, V.A, Pletnev, S.V, Pangborn, W, Duax, W. | Deposit date: | 2004-01-21 | Release date: | 2004-05-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | [A new crystal form of the Fab fragment of a monoclonal antibody to human interleukin-2: the three-dimensional structure at 2.7 A resolution]. Bioorg. Khim., 30
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5JEF
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![BU of 5jef by Molmil](/molmil-images/mine/5jef) | Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state | Descriptor: | EICOSANE, NITRATE ION, Nitrate/nitrite sensor protein NarQ | Authors: | Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V. | Deposit date: | 2016-04-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Mechanism of transmembrane signaling by sensor histidine kinases. Science, 356, 2017
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1EZT
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![BU of 1ezt by Molmil](/molmil-images/mine/1ezt) | HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR | Descriptor: | REGULATOR OF G-PROTEIN SIGNALING 4 | Authors: | Moy, F.J, Chanda, P.K, Cockett, M.I, Edris, W, Jones, P.G, Mason, K, Semus, S, Powers, R. | Deposit date: | 2000-05-11 | Release date: | 2001-01-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha. Biochemistry, 39, 2000
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1EZY
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![BU of 1ezy by Molmil](/molmil-images/mine/1ezy) | HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR | Descriptor: | REGULATOR OF G-PROTEIN SIGNALING 4 | Authors: | Moy, F.J, Chanda, P.K, Cockett, M.I, Edris, W, Jones, P.G, Mason, K, Semus, S, Powers, R. | Deposit date: | 2000-05-12 | Release date: | 2001-01-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of free RGS4 reveals an induced conformational change upon binding Galpha. Biochemistry, 39, 2000
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6XUH
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![BU of 6xuh by Molmil](/molmil-images/mine/6xuh) | Crystal structure of human phosphoglucose isomerase in complex with inhibitor | Descriptor: | (2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase | Authors: | Li de la Sierra-Gallay, I, Ahmad, L, Plancqueel, S, van Tilbeurgh, H, Salmon, L. | Deposit date: | 2020-01-20 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies. Bioorg.Chem., 102, 2020
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8BBO
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![BU of 8bbo by Molmil](/molmil-images/mine/8bbo) | SARS-CoV-2 Delta-RBD complexed with BA.2-36 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IGH@ protein, Immunoglobulin kappa light chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2022-10-14 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rapid escape of new SARS-CoV-2 Omicron variants from BA.2-directed antibody responses. Cell Rep, 42, 2023
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5VXR
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![BU of 5vxr by Molmil](/molmil-images/mine/5vxr) | The antigen-binding fragment of MAb24 in complex with a peptide from Hepatitis C Virus E2 epitope I (412-423) | Descriptor: | GLYCEROL, MAb24 Variable Heavy Chain,MAb24 Variable Heavy Chain, MAb24 Variable Light Chain,MAb24 Variable Light Chain, ... | Authors: | Hardy, J.M, Gu, J, Boo, I, Drummer, H.E, Coulibaly, F.J. | Deposit date: | 2017-05-24 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Escape of Hepatitis C Virus from Epitope I Neutralization Increases Sensitivity of Other Neutralization Epitopes. J. Virol., 92, 2018
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6HZM
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![BU of 6hzm by Molmil](/molmil-images/mine/6hzm) | Cryo-EM structure of the ABCG2 E211Q mutant bound to ATP and Magnesium (alternative placement of Magnesium into the cryo-EM density) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-binding cassette sub-family G member 2, MAGNESIUM ION | Authors: | Manolaridis, I, Jackson, S.M, Taylor, N.M.I, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2018-10-23 | Release date: | 2018-11-14 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryo-EM structures of a human ABCG2 mutant trapped in ATP-bound and substrate-bound states. Nature, 563, 2018
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7K4F
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![BU of 7k4f by Molmil](/molmil-images/mine/7k4f) | Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31 | Descriptor: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | Authors: | Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I. | Deposit date: | 2020-09-15 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv, 6, 2020
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5LKS
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![BU of 5lks by Molmil](/molmil-images/mine/5lks) | Structure-function insights reveal the human ribosome as a cancer target for antibiotics | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Myasnikov, A.G, Natchiar, S.K, Nebout, M, Hazemann, I, Imbert, V, Khatter, H, Peyron, J.-F, Klaholz, B.P. | Deposit date: | 2016-07-23 | Release date: | 2017-04-26 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure-function insights reveal the human ribosome as a cancer target for antibiotics. Nat Commun, 7, 2016
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6XY9
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![BU of 6xy9 by Molmil](/molmil-images/mine/6xy9) | Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Prudnikova, T, Rezacova, P, Kuta Smatanova, I, Chaloupkova, R, Damborsky, J. | Deposit date: | 2020-01-29 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family. Comput Struct Biotechnol J, 18, 2020
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