6KKR
 
 | | human KCC1 structure determined in KCl and detergent GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-08-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6JBS
 | | Bifunctional xylosidase/glucosidase LXYL | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gong, W.M, Yang, L.Y. | | Deposit date: | 2019-01-26 | | Release date: | 2020-02-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of beta-glycosidase LXYL-P1-2 reveals the product binding state of GH3 family and a specific pocket for Taxol recognition.
Commun Biol, 3, 2020
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6MHR
 | | Structure of the human 4-1BB / Urelumab Fab complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MALONATE ION, ... | | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | Deposit date: | 2018-09-18 | | Release date: | 2018-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
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6MI2
 | | Structure of the human 4-1BB / Utomilumab Fab complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | Deposit date: | 2018-09-19 | | Release date: | 2018-11-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
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6MGP
 | | Structure of human 4-1BB / 4-1BBL complex | | Descriptor: | ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ... | | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | Deposit date: | 2018-09-14 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab
Nat Commun, 9, 2018
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6MVQ
 | | HCV NS5B 1b N316 bound to Compound 31 | | Descriptor: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6MGE
 | | Structure of human 4-1BBL | | Descriptor: | GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9 | | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | | Deposit date: | 2018-09-13 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
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6KKU
 | | human KCC1 structure determined in NaCl and GDN | | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | | Deposit date: | 2019-07-27 | | Release date: | 2019-10-23 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
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6MVP
 | | HCV NS5B 1b N316 bound to Compound 18 | | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6MVO
 | | HCV NS5B 1A Y316 bound to Compound 49 | | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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6MVK
 | | HCV NS5B 1b N316 bound to Compound 18 | | Descriptor: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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7EPZ
 | | Overall structure of Erastin-bound xCT-4F2hc complex | | Descriptor: | 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, R.H, Li, Y.N, Zhang, Y.Y, Chi, X.M, Zhou, Q. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-06 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structure of erastin-bound xCT-4F2hc complex reveals molecular mechanisms underlying erastin-induced ferroptosis.
Cell Res., 32, 2022
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7KHY
 | | Crystal structure of OXA-163 K73A in complex with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2020-10-22 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
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7KH9
 | | Crystal structure of OXA-48 K73A in complex with imipenem | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION | | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2020-10-20 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
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7KHZ
 | | Crystal structure of OXA-163 K73A in complex with imipenem | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2020-10-22 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
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7KHQ
 | | Crystal structure of OXA-48 K73A in complex with meropenem | | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Palzkill, T, Hu, L, Sankaran, B, Prasad, B.V.V. | | Deposit date: | 2020-10-21 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Basis of OXA-48-like beta-Lactamases' Hydrolysis of Carbapenems.
Acs Infect Dis., 7, 2021
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1DNV
 | | PARVOVIRUS (DENSOVIRUS) FROM GALLERIA MELLONELLA | | Descriptor: | GALLERIA MELLONELLA DENSOVIRUS CAPSID PROTEIN | | Authors: | Simpson, A.A, Chipmann, P.R, Baker, T.S, Tijssen, P, Rossmann, M.G. | | Deposit date: | 1998-07-22 | | Release date: | 1999-02-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The structure of an insect parvovirus (Galleria mellonella densovirus) at 3.7 A resolution.
Structure, 6, 1998
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2LUZ
 | | Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12 | | Descriptor: | CalU16 | | Authors: | Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-06-22 | | Release date: | 2012-10-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
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2NQ8
 | | Malarial enoyl acyl ACP reductase bound with INH-NAD adduct | | Descriptor: | Enoyl-acyl carrier reductase, ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Authors: | Freundlich, J.S, Yu, M, Lucumi, E, Kuo, M, Tsai, H.C, Valderramos, J.C, Karagyozov, L, Jacobs Jr, W.R, Schiehser, G.A, Fidock, D.A, Jacobus, D.P, Sacchettini, J.C. | | Deposit date: | 2006-10-30 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy
J.Biol.Chem., 282, 2007
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7WB5
 | | local structure of hu33 and spike | | Descriptor: | Surface glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, hu33 heavy chain, ... | | Authors: | Pulan, L. | | Deposit date: | 2021-12-15 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A non-ACE2-blocking neutralizing antibody against Omicron-included SARS-CoV-2 variants.
Signal Transduct Target Ther, 7, 2022
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7WBH
 | | overall structure of hu33 and spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Pulan, L. | | Deposit date: | 2021-12-16 | | Release date: | 2022-10-26 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | A non-ACE2-blocking neutralizing antibody against Omicron-included SARS-CoV-2 variants.
Signal Transduct Target Ther, 7, 2022
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7WL9
 | | Mouse Pendrin in chloride and bicarbonate in asymmetric state | | Descriptor: | CHLORIDE ION, Pendrin | | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | | Deposit date: | 2022-01-12 | | Release date: | 2023-04-12 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.78 Å) | | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger.
Nat Commun, 14, 2023
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7WL2
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7WLA
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7WLE
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