6VS0
 
 | | protein B | | Descriptor: | CHLORAMPHENICOL, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M, Lu, M.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
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6VSH
 | | Crystal structure of apo Dicamba Monooxygenase | | Descriptor: | Dicamba O-demethylase, oxygenase component, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Rydel, T.J. | | Deposit date: | 2020-02-11 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
J. Mol. Biol., 392, 2009
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5TAT
 | | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 2) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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2NN1
 | | Structure of inhibitor binding to Carbonic Anhydrase I | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 1, ... | | Authors: | Christianson, D.W, Jude, K.M. | | Deposit date: | 2006-10-23 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
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6W5S
 | | NPC1 structure in GDN micelles at pH 8.0 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yan, N, Qian, H.W, Wu, X.L. | | Deposit date: | 2020-03-13 | | Release date: | 2020-06-17 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural Basis of Low-pH-Dependent Lysosomal Cholesterol Egress by NPC1 and NPC2.
Cell, 182, 2020
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2NNO
 | | Structure of inhibitor binding to Carbonic Anhydrase II | | Descriptor: | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Christianson, D.W, Jude, K.M. | | Deposit date: | 2006-10-24 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
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6W6L
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2NQG
 | | Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
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6VP0
 | | Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ... | | Authors: | Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M. | | Deposit date: | 2020-02-01 | | Release date: | 2020-05-13 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and mechanism of human diacylglycerol O-acyltransferase 1.
Nature, 581, 2020
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6VQ7
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6VS2
 | | protein D | | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M, Lu, M.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
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5TF8
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP | | Descriptor: | Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-24 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.861 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TFJ
 | | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Aleksandrov, A.A, Yang, Z, Forouhar, F, Proctor, E, Kota, P, An, J, Kaplan, A, Khazanov, N, Boel, G, Stockwell, B.R, Senderowitz, H, Dokholyan, N.V, Riordan, J.R, Brouillette, C.G, Hunt, J.F. | | Deposit date: | 2016-09-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain
To Be Published
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5TFR
 | | Crystal structure of Zika Virus NS5 protein | | Descriptor: | Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Longenecker, K.L, Upadhyay, A.K. | | Deposit date: | 2016-09-26 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Crystal structure of full-length Zika virus NS5 protein reveals a conformation similar to Japanese encephalitis virus NS5.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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4AY1
 | | Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2 | | Authors: | Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F. | | Deposit date: | 2012-06-17 | | Release date: | 2012-08-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
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6R7L
 | | Ribosome-bound SecYEG translocon in a nanodisc | | Descriptor: | Protein translocase subunit SecY, SecE,Protein translocase subunit SecE,Protein translocase subunit SecE,Protein translocase subunit SecE, SecG | | Authors: | Kater, L, Beckmann, R, Kedrov, A. | | Deposit date: | 2019-03-29 | | Release date: | 2019-08-07 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Partially inserted nascent chain unzips the lateral gate of the Sec translocon.
Embo Rep., 20, 2019
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6VS1
 | | protein C | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Multidrug transporter MdfA, PRASEODYMIUM ION | | Authors: | Lu, M, Lu, M.M. | | Deposit date: | 2020-02-10 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and mechanism of a redesigned multidrug transporter from the Major Facilitator Superfamily.
Sci Rep, 10, 2020
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6VXM
 | | Cryo-EM structure of Arabidopsis thaliana MSL1 | | Descriptor: | EICOSANE, Mechanosensitive ion channel protein 1, mitochondrial | | Authors: | Deng, Z, Zhang, J, Yuan, P. | | Deposit date: | 2020-02-22 | | Release date: | 2020-08-05 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural mechanism for gating of a eukaryotic mechanosensitive channel of small conductance.
Nat Commun, 11, 2020
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6R7Y
 | | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (low Ca2+, closed form) | | Descriptor: | Anoctamin-10, CALCIUM ION | | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-29 | | Release date: | 2019-05-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019
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6VZ8
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4B0O
 | | Crystal structure of soman-aged human butyrylcholinesterase in complex with benzyl pyridinium-4-methyltrichloroacetimidate | | Descriptor: | 1-BENZYL-4-({[(1E)-2,2,2-TRICHLOROETHANIMIDOYL]OXY}METHYL)PYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wandhammer, M, de Koning, M, van Grol, M, Noort, D, Goeldner, M, Nachon, F. | | Deposit date: | 2012-07-04 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
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5UV5
 | | Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase | | Descriptor: | 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-02-19 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
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6VJ8
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8G04
 | | Structure of signaling thrombopoietin-MPL receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombopoietin, Thrombopoietin receptor, ... | | Authors: | Tsutsumi, N, Jude, K.M, Gati, C, Garcia, K.C. | | Deposit date: | 2023-01-31 | | Release date: | 2023-08-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the thrombopoietin-MPL receptor complex is a blueprint for biasing hematopoiesis.
Cell, 186, 2023
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4D3B
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2014-10-20 | | Release date: | 2014-12-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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