8TDM
 
 | | Cryo-EM structure of AtMSL10-K539E | | Descriptor: | Mechanosensitive ion channel protein 10 | | Authors: | Zhang, J, Yuan, P. | | Deposit date: | 2023-07-03 | | Release date: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10.
Nat Commun, 14, 2023
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5F7K
 | | Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with Nanobody Nb-ER19 | | Descriptor: | 1,2-ETHANEDIOL, Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, ... | | Authors: | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | | Deposit date: | 2015-12-08 | | Release date: | 2016-01-20 | | Last modified: | 2016-12-28 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
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2J8Q
 | | Crystal structure of human cleavage and polyadenylation specificity factor 5 (CPSF5) in complex with a sulphate ion. | | Descriptor: | CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR 5, SULFATE ION | | Authors: | Moche, M, Stenmark, P, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ericsson, U.B, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg, S.L, Hogbom, M, Johansson, I, Karlberg, T, Kosinska, U, Kotenyova, T, Magnusdottir, A, Nilsson, M.E, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Uppenberg, J, Upsten, M, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2006-10-27 | | Release date: | 2006-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site.
Proteins, 73, 2008
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4QOM
 | | Bacillus pumilus catalase with pyrogallol bound | | Descriptor: | BENZENE-1,2,3-TRIOL, CHLORIDE ION, Catalase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2014-06-20 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Unprecedented access of phenolic substrates to the heme active site of a catalase: Substrate binding and peroxidase-like reactivity of Bacillus pumilus catalase monitored by X-ray crystallography and EPR spectroscopy.
Proteins, 83, 2015
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6V0B
 | | Unliganded ELIC in POPC-only nanodiscs. | | Descriptor: | Gamma-aminobutyric-acid receptor subunit beta-1 | | Authors: | Grosman, C, Kumar, P. | | Deposit date: | 2019-11-18 | | Release date: | 2020-01-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6FDF
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6V0M
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3LU6
 | | Human serum albumin in complex with compound 1 | | Descriptor: | Serum albumin, [(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]acetic acid | | Authors: | Buttar, D, Colclough, N, Gerhardt, S, MacFaul, P.A, Phillips, S.D, Plowright, A, Whittamore, P, Tam, K, Maskos, K, Steinbacher, S, Steuber, H. | | Deposit date: | 2010-02-17 | | Release date: | 2010-10-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A combined spectroscopic and crystallographic approach to probing drug-human serum albumin interactions
Bioorg.Med.Chem., 18, 2010
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6VA5
 | | Tudor Domain of Tumor suppressor p53BP1 with MFP-4184 | | Descriptor: | 2-(4-methylpiperazin-1-yl)aniline, GLYCEROL, SULFATE ION, ... | | Authors: | Zeng, H, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-16 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Tudor Domain of Tumor suppressor p53BP1 with MFP-4184
to be published
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8TDJ
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4IBJ
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4LC2
 | | Crystal structure of the bromodomain of human BRPF1B | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, Peregrin | | Authors: | Tallant, C, Nunez-Alonso, G, Savitsky, P, Picaud, S, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-06-21 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the bromodomain of human BRPF1B
TO BE PUBLISHED
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8DI7
 | | CMY-2 | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Ahmadvand, P, Call, D.R. | | Deposit date: | 2022-06-28 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structural characterization of CMY-2 and its interactions with ampicillin and the cephalosporins - ceftiofur, DFC, DFC-dimer, DFC-cysteine, and nitrocefin
To Be Published
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8TDL
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3CWB
 | | Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, AZIDE ION, CARDIOLIPIN, ... | | Authors: | Huang, L, Cromartie, T, Viner, R, Crowley, P.J, Berry, E.A. | | Deposit date: | 2008-04-21 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.51 Å) | | Cite: | The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16, 2008
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4IBI
 | | Ebola virus VP35 bound to small molecule | | Descriptor: | 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35 | | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | | Deposit date: | 2012-12-08 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
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4BSF
 | | Human H7N9 Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans
Nature, 499, 2013
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6VH2
 | | 2.26 A resolution structure of MERS 3CL protease in complex with inhibitor 7i | | Descriptor: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, Orf1a protein | | Authors: | Lovell, S, Battaile, K.P, Kashipathy, M.M, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-01-09 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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6URN
 | | Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set | | Descriptor: | Barrier-to-autointegration factor, ETHANOL | | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | Deposit date: | 2019-10-23 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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8TDK
 | | Cryo-EM structure of AtMSL10-G556V | | Descriptor: | Mechanosensitive ion channel protein 10 | | Authors: | Zhang, J, Yuan, P. | | Deposit date: | 2023-07-03 | | Release date: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10.
Nat Commun, 14, 2023
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8T9L
 | | Pom34-Pom152 membrane attachment site yeast NPC | | Descriptor: | Nucleoporin POM152, Nucleoporin POM34 | | Authors: | Akey, C.W, Echeverria, I, Ouch, C, Fernandez-Martinez, J, Rout, M.P. | | Deposit date: | 2023-06-24 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Implications of a multiscale structure of the yeast nuclear pore complex.
Mol.Cell, 83, 2023
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4BSA
 | | Crystal Structure of the Haemagglutinin (with Asn-133 Glycosylation) from an H7N9 Influenza Virus Isolated from Humans | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | | Deposit date: | 2013-06-10 | | Release date: | 2013-07-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans
Nature, 499, 2013
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4QJK
 | | Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT | | Descriptor: | COENZYME A, Phosphopantetheinyl transferase PptT, SULFATE ION | | Authors: | Noel, J.P, Burkart, M.D, Vickery, C.R. | | Deposit date: | 2014-06-04 | | Release date: | 2014-07-16 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure, biochemistry, and inhibition of essential 4'-phosphopantetheinyl transferases from two species of mycobacteria.
Acs Chem.Biol., 9, 2014
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4BNJ
 | | Crystal structure of S. aureus FabI in complex with NADP and 5-methyl- 2-phenoxyphenol | | Descriptor: | 5-methyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | | Deposit date: | 2013-05-15 | | Release date: | 2013-06-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
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8THR
 | | Structure of the human vesicular monoamine transporter 2 (VMAT2) bound to tetrabenazine in an occluded conformation | | Descriptor: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, fluorescent protein mVenus,Synaptic vesicular amine transporter,GFP nano body,Synaptic vesicular amine transporter,Synaptic vesicular amine transporter | | Authors: | Dalton, M.P, Coleman, J.A. | | Deposit date: | 2023-07-17 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural mechanisms for VMAT2 inhibition by tetrabenazine.
Elife, 12, 2024
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