7DNZ
 
 | | Cryo-EM structure of the human ABCB6 (Hemin and GSH-bound) | | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kim, S, Lee, S.S, Park, J.G, Kim, J.W, Kim, S, Kim, N.J, Hong, S, Kang, J.Y, Jin, M.S. | | Deposit date: | 2020-12-11 | | Release date: | 2022-06-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Insights into Porphyrin Recognition by the Human ATP-Binding Cassette Transporter ABCB6.
Mol.Cells, 45, 2022
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7DNY
 | | Cryo-EM structure of the human ABCB6 (coproporphyrin III-bound) | | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kim, S, Lee, S.S, Park, J.G, Kim, J.W, Kim, S, Kim, N.J, Hong, S, Kang, J.Y, Jin, M.S. | | Deposit date: | 2020-12-11 | | Release date: | 2022-06-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural Insights into Porphyrin Recognition by the Human ATP-Binding Cassette Transporter ABCB6.
Mol.Cells, 45, 2022
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5FBB
 | | S1 nuclease from Aspergillus oryzae in complex with phosphate and adenosine 5'-monophosphate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Koval, T, Oestergaard, L.H, Dohnalek, J. | | Deposit date: | 2015-12-14 | | Release date: | 2016-12-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition.
PLoS ONE, 11, 2016
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5FDL
 | | Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with IDX899 | | Descriptor: | P51 Reverse transcriptase, P66 Reverse transcriptase, methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | | Authors: | Dousson, C.B, Alexandre, F.-R, Convard, T, Fisher, M, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2015-12-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of the Aryl-phospho-indole IDX899, a Highly Potent Anti-HIV Non-nucleoside Reverse Transcriptase Inhibitor.
J.Med.Chem., 59, 2016
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5FDO
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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7DEH
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5FL1
 | | Structure of a hydrolase with an inhibitor | | Descriptor: | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J. | | Deposit date: | 2015-10-20 | | Release date: | 2016-08-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
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7DY0
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4HFI
 | | The GLIC pentameric Ligand-Gated Ion Channel at 2.4 A resolution | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Corringer, P.J, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-02-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.
Embo J., 32, 2013
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5FFN
 | | Complex of subtilase SubTY from Bacillus sp. TY145 with chymotrypsin inhibitor CI2A | | Descriptor: | CALCIUM ION, Enzyme subtilase SubTY from Bacillus sp. TY145, SODIUM ION, ... | | Authors: | McAuley, K.E, Svendsen, A, Oestergaard, P.R, Dohnalek, J, Wilson, K.S. | | Deposit date: | 2015-12-18 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stabilization of Enzymes by Metal Binding: Structures of Two Alkalophilic Bacillus Subtilases and Analysis of the Second Metal-Binding Site of the Subtilase Family
Book, 2016
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4HAG
 | | Crystal structure of fc-fragment of human IgG2 antibody (centered crystal form) | | Descriptor: | 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, Ig gamma-2 chain C region | | Authors: | Teplyakov, A, Malia, T, Obmolova, G, Zhao, Y, Gilliland, G. | | Deposit date: | 2012-09-26 | | Release date: | 2013-06-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | IgG2 Fc structure and the dynamic features of the IgG CH2-CH3 interface.
Mol.Immunol., 56, 2013
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5FS9
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5HD8
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7DU2
 | | RNA polymerase III EC complex in post-translocation state | | Descriptor: | DNA (5'-D(P*GP*TP*CP*TP*GP*AP*TP*CP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(P*TP*TP*CP*CP*GP*AP*GP*AP*TP*CP*AP*GP*AP*CP*GP*AP*GP*AP*T)-3'), DNA-directed RNA polymerase III subunit RPC1, ... | | Authors: | Li, L, Yu, Z, Zhao, D, Ren, Y, Hou, H, Xu, Y. | | Deposit date: | 2021-01-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structure of human RNA polymerase III elongation complex.
Cell Res., 31, 2021
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4HFE
 | | The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to ethanol | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | | Deposit date: | 2012-10-05 | | Release date: | 2013-04-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel.
Nat Commun, 4, 2013
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4GV5
 | | X-ray structure of crotamine, a cell-penetrating peptide from the Brazilian snake Crotalus durissus terrificus | | Descriptor: | Crotamine Ile-19, GLYCEROL, SULFATE ION, ... | | Authors: | Coronado, M.A, Gabdulkhakov, A, Georgieva, D, Sankaran, B, Murakami, M.T, Arni, R.K, Betzel, C. | | Deposit date: | 2012-08-30 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the polypeptide crotamine from the Brazilian rattlesnake Crotalus durissus terrificus.
Acta Crystallogr.,Sect.D, 69, 2013
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5H6L
 | | DNA targeting ADP-ribosyltransferase Pierisin-1 in complex with beta-NAD+ | | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pierisin-1 | | Authors: | Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. | | Deposit date: | 2016-11-14 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
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7JGD
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5H9Q
 | | Crystal Structure of Human Galectin-7 in Complex with TD139 | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-7 | | Authors: | Hsieh, T.J, Lin, H.Y, Lin, C.H. | | Deposit date: | 2015-12-29 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.931 Å) | | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
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7JK8
 | | EmrE S64V mutant bound to tetra(4-fluorophenyl)phosphonium at pH 5.8 | | Descriptor: | Multidrug SMR transporter, tetrakis(4-fluorophenyl)phosphanium | | Authors: | Shcherbakov, A.A, Hisao, G, Mandala, V.S, Thomas, N.E, Soltani, M, Salter, E.A, Davis Jr, J.H, Henzler-Wildman, K.A, Hong, M. | | Deposit date: | 2020-07-27 | | Release date: | 2020-12-09 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | Structure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers.
Nat Commun, 12, 2021
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5HLO
 | | Crystal structure of calcium and zinc-bound human S100A8 in space group C2221 | | Descriptor: | ACETATE ION, CACODYLATE ION, CALCIUM ION, ... | | Authors: | Lin, H, Andersen, G.R, Yatime, L. | | Deposit date: | 2016-01-15 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
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4H03
 | | Crystal structure of NAD+-Ia-actin complex | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Tsurumura, T, Oda, M, Nagahama, M, Tsuge, H. | | Deposit date: | 2012-09-07 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Arginine ADP-ribosylation mechanism based on structural snapshots of iota-toxin and actin complex
Proc.Natl.Acad.Sci.USA, 110, 2013
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4GTQ
 | | FTase in complex with BMS analogue 12 | | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ... | | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | | Deposit date: | 2012-08-29 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
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7JJJ
 | | Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B. | | Deposit date: | 2020-07-26 | | Release date: | 2020-08-26 | | Last modified: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
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7JGV
 | | CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2 | | Descriptor: | 6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(2-phenylethoxy)pyridine-2-carboxylic acid, Bcl-2-like protein 1 | | Authors: | Lee, M, Fairlie, W.D, Smith, B.J, Lee, E.F. | | Deposit date: | 2020-07-19 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Acs Infect Dis., 7, 2021
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