4WXU
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![BU of 4wxu by Molmil](/molmil-images/mine/4wxu) | Crystal Structure of the Selenomthionine Incorporated Myocilin Olfactomedin Domain E396D Variant. | Descriptor: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Donegan, R.K, Freeman, D.M, Lieberman, R.L. | Deposit date: | 2014-11-14 | Release date: | 2015-04-01 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Structural basis for misfolding in myocilin-associated glaucoma. Hum.Mol.Genet., 24, 2015
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4X4Z
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5FBN
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![BU of 5fbn by Molmil](/molmil-images/mine/5fbn) | BTK kinase domain with inhibitor 1 | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | Deposit date: | 2015-12-14 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis. Acs Med.Chem.Lett., 7, 2016
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6TJ1
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![BU of 6tj1 by Molmil](/molmil-images/mine/6tj1) | Crystal structure of a de novo designed hexameric helical-bundle protein | Descriptor: | De novo designed WSHC6, purification tag | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | Deposit date: | 2019-11-23 | Release date: | 2020-04-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computational design of transmembrane pores. Nature, 585, 2020
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6NDB
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8DJG
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![BU of 8djg by Molmil](/molmil-images/mine/8djg) | ADGRL3-lectin domain in complex with an activating synthetic antibody fragment | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ... | Authors: | Kordon, S.P, Bandekar, S.J, Arac, D. | Deposit date: | 2022-06-30 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder. Nat Commun, 14, 2023
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7RAS
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![BU of 7ras by Molmil](/molmil-images/mine/7ras) | Structure of TRPV3 in complex with osthole | Descriptor: | 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one, Transient receptor potential cation channel subfamily V member 3 | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2021-07-02 | Release date: | 2021-09-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural mechanism of TRPV3 channel inhibition by the plant-derived coumarin osthole. Embo Rep., 22, 2021
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8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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4WKT
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![BU of 4wkt by Molmil](/molmil-images/mine/4wkt) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | 1-BUTANE BORONIC ACID, Acyl-homoserine lactone acylase PvdQ, GLYCEROL | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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6VMG
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![BU of 6vmg by Molmil](/molmil-images/mine/6vmg) | Chloroplast ATP synthase (O3, CF1FO) | Descriptor: | ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-27 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.46 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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6VLX
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![BU of 6vlx by Molmil](/molmil-images/mine/6vlx) | Crystal structure of FabI from Alistipes finegoldii | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL | Authors: | Radka, C.D, Seetharaman, J, Rock, C.O. | Deposit date: | 2020-01-27 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI). J.Biol.Chem., 295, 2020
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7PER
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![BU of 7per by Molmil](/molmil-images/mine/7per) | Model of the inner ring of the human nuclear pore complex | Descriptor: | Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ... | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | Deposit date: | 2021-08-11 | Release date: | 2021-10-20 | Last modified: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The cellular environment shapes the nuclear pore complex architecture. Nature, 598, 2021
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6Q3P
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![BU of 6q3p by Molmil](/molmil-images/mine/6q3p) | Atomic resolution crystal structure of an AAB collagen heterotrimer | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Leading Chain of the AAB Collagen Heterotrimer, ... | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | Deposit date: | 2018-12-04 | Release date: | 2019-12-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer Nat.Chem.Biol., 2019
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8QYS
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![BU of 8qys by Molmil](/molmil-images/mine/8qys) | Human preholo proteasome 20S core particle | Descriptor: | Proteasome assembly chaperone 1, Proteasome assembly chaperone 2, Proteasome maturation protein, ... | Authors: | Schulman, B.A, Hanna, J.W, Harper, J.W, Adolf, F, Du, J, Rawson, S.D, Walsh Jr, R.M, Goodall, E.A. | Deposit date: | 2023-10-26 | Release date: | 2024-02-21 | Last modified: | 2024-08-28 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Visualizing chaperone-mediated multistep assembly of the human 20S proteasome. Nat.Struct.Mol.Biol., 31, 2024
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8QA8
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7PKX
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![BU of 7pkx by Molmil](/molmil-images/mine/7pkx) | Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O. | Deposit date: | 2021-08-27 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis . Int J Mol Sci, 22, 2021
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6TM6
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![BU of 6tm6 by Molmil](/molmil-images/mine/6tm6) | MUC2 CysD1 domain | Descriptor: | CALCIUM ION, Mucin-2 | Authors: | Khmelnitsky, L, Fass, D. | Deposit date: | 2019-12-03 | Release date: | 2020-02-19 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Assembly Mechanism of Mucin and von Willebrand Factor Polymers. Cell, 183, 2020
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7TXL
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![BU of 7txl by Molmil](/molmil-images/mine/7txl) | Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine | Descriptor: | 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium | Authors: | Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2022-02-09 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine. Nat Commun, 13, 2022
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8A4X
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![BU of 8a4x by Molmil](/molmil-images/mine/8a4x) | Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III | Descriptor: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2022-06-13 | Release date: | 2023-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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6VOK
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![BU of 6vok by Molmil](/molmil-images/mine/6vok) | Chloroplast ATP synthase (R3, CF1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-30 | Release date: | 2020-09-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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6G52
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![BU of 6g52 by Molmil](/molmil-images/mine/6g52) | CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4 | Descriptor: | Metal transporter CNNM4 | Authors: | Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A. | Deposit date: | 2018-03-28 | Release date: | 2019-04-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (3.691 Å) | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4. Int J Mol Sci, 20, 2019
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8CWL
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![BU of 8cwl by Molmil](/molmil-images/mine/8cwl) | Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746 | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one | Authors: | Huang, W, Taylor, D.J. | Deposit date: | 2022-05-19 | Release date: | 2023-03-08 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system. Nat Commun, 14, 2023
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7PMN
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![BU of 7pmn by Molmil](/molmil-images/mine/7pmn) | S. cerevisiae replisome-SCF(Dia2) complex bound to double-stranded DNA (conformation II) | Descriptor: | Cell division control protein 45,Cell division control protein 45, Chromosome segregation in meiosis protein 3, DNA polymerase alpha-binding protein, ... | Authors: | Jenkyn-Bedford, M, Yeeles, J.T.P, Deegan, T.D. | Deposit date: | 2021-09-02 | Release date: | 2021-11-10 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A conserved mechanism for regulating replisome disassembly in eukaryotes. Nature, 600, 2021
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6B6P
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7TXK
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![BU of 7txk by Molmil](/molmil-images/mine/7txk) | Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine | Descriptor: | 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), SULFATE ION, ... | Authors: | Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2022-02-09 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine. Nat Commun, 13, 2022
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