6U99
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![BU of 6u99 by Molmil](/molmil-images/mine/6u99) | Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58 | Descriptor: | 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid, Heat shock protein HSP 90-alpha | Authors: | Cuesta, A, Wan, X, Taunton, J. | Deposit date: | 2019-09-06 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90. J.Am.Chem.Soc., 142, 2020
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7S66
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![BU of 7s66 by Molmil](/molmil-images/mine/7s66) | Extended conformation of nighttime state KaiC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | Authors: | Sandate, C.R, Swan, J.A, Partch, C.L, Lander, G.C. | Deposit date: | 2021-09-13 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Coupling of distant ATPase domains in the circadian clock protein KaiC. Nat.Struct.Mol.Biol., 29, 2022
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6QQW
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![BU of 6qqw by Molmil](/molmil-images/mine/6qqw) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QR3
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![BU of 6qr3 by Molmil](/molmil-images/mine/6qr3) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-19 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.614 Å) | Cite: | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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4XDK
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![BU of 4xdk by Molmil](/molmil-images/mine/4xdk) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with norfluoxetine | Descriptor: | (3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, (3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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7M6R
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![BU of 7m6r by Molmil](/molmil-images/mine/7m6r) | |
5L34
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![BU of 5l34 by Molmil](/molmil-images/mine/5l34) | |
7M6S
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![BU of 7m6s by Molmil](/molmil-images/mine/7m6s) | |
7M6O
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![BU of 7m6o by Molmil](/molmil-images/mine/7m6o) | Full length alpha1 Glycine receptor in presence of 0.1mM Glycine and 32uM Tetrahydrocannabinol | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ... | Authors: | Kumar, A, Chakrapani, S. | Deposit date: | 2021-03-26 | Release date: | 2022-08-03 | Last modified: | 2022-09-07 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs. Nat Commun, 13, 2022
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8GHS
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![BU of 8ghs by Molmil](/molmil-images/mine/8ghs) | Empty HBV Cp183 capsid with importin-beta, subparticle reconstruction at 2-fold location | Descriptor: | Capsid protein | Authors: | Kim, C, Schlicksup, C.J, Hadden-Perilla, J.A, Wang, J.C.-Y, Zlotnick, A. | Deposit date: | 2023-03-10 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure of the Hepatitis B virus capsid quasi-6-fold with a trapped C-terminal domain reveals capsid movements associated with domain exit. J.Biol.Chem., 299, 2023
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7MRA
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![BU of 7mra by Molmil](/molmil-images/mine/7mra) | |
5L6G
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![BU of 5l6g by Molmil](/molmil-images/mine/5l6g) | Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FAD linked oxidase-like protein, ... | Authors: | Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W. | Deposit date: | 2016-05-30 | Release date: | 2016-09-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1. J.Biol.Chem., 291, 2016
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6M5O
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![BU of 6m5o by Molmil](/molmil-images/mine/6m5o) | Co-crystal structure of human serine hydroxymethyltransferase 2 in complex with Pyridoxal 5'-phosphate (PLP) and glycodeoxycholic acid | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, GLYCINE, Serine hydroxymethyltransferase, ... | Authors: | Ota, T, Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K, Sando, S. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.30000663 Å) | Cite: | Structural basis for selective inhibition of human serine hydroxymethyltransferase by secondary bile acid conjugate. Iscience, 24, 2021
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6QOD
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![BU of 6qod by Molmil](/molmil-images/mine/6qod) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 7 (2-Amino-6-fluorobenzothiazole) | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-03-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8GHD
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![BU of 8ghd by Molmil](/molmil-images/mine/8ghd) | The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid | Descriptor: | ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ... | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | Deposit date: | 2023-03-09 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors. Blood, 142, 2023
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7RXD
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![BU of 7rxd by Molmil](/molmil-images/mine/7rxd) | CryoEM structure of RBD domain of COVID-19 in complex with Legobody | Descriptor: | Fab_8D3_2 heavy chain, Fab_8D3_2 light chain, Maltodextrin-binding protein,Immunoglobulin G-binding protein A,Immunoglobulin G-binding protein G, ... | Authors: | Wu, X.D, Rapoport, T.A. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies). Proc.Natl.Acad.Sci.USA, 118, 2021
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8GSS
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![BU of 8gss by Molmil](/molmil-images/mine/8gss) | Human glutathione S-transferase P1-1, complex with glutathione | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ... | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-14 | Release date: | 1998-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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6QOP
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![BU of 6qop by Molmil](/molmil-images/mine/6qop) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 19 (5-fluoroquinazolin-4-ol) | Descriptor: | 5-fluoranyl-3,4-dihydroquinazolin-4-ol, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.912 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6QOW
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![BU of 6qow by Molmil](/molmil-images/mine/6qow) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 26 (6-methoxybenzothiazole-2-carboxylic acid) | Descriptor: | 6-methoxy-1,3-benzothiazole-2-carboxylic acid, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | Deposit date: | 2019-02-12 | Release date: | 2020-02-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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8SW7
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![BU of 8sw7 by Molmil](/molmil-images/mine/8sw7) | BG505 Boost2 SOSIP.664 in complex with NHP polyclonal antibody FP1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 Boost 2 gp120, BG505 Boost 2 gp41, ... | Authors: | Pratap, P.P, Antansijevic, A, Ozorowski, G, Ward, A.B. | Deposit date: | 2023-05-17 | Release date: | 2023-07-26 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Focusing antibody responses to the fusion peptide in rhesus macaques. Biorxiv, 2023
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7P5R
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![BU of 7p5r by Molmil](/molmil-images/mine/7p5r) | Racemic protein crystal structure of lacticin Q from Lactococcus lactis | Descriptor: | D-Lacticin Q, FORMIC ACID, Lacticin Q | Authors: | Lander, A.J, Li, X, Baumann, P, Rizkallah, P, Luk, L.Y.P, Jin, Y. | Deposit date: | 2021-07-14 | Release date: | 2022-07-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography. Commun Chem, 6, 2023
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8SP8
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![BU of 8sp8 by Molmil](/molmil-images/mine/8sp8) | Human TRP channel TRPV6 in cNW30 nanodiscs inhibited by tetrahydrocannabivarin (THCV) | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHLORIDE ION, ... | Authors: | Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2023-05-02 | Release date: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Molecular pathway and structural mechanism of human oncochannel TRPV6 inhibition by the phytocannabinoid tetrahydrocannabivarin. Nat Commun, 14, 2023
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4XCT
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![BU of 4xct by Molmil](/molmil-images/mine/4xct) | Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain. | Descriptor: | (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ... | Authors: | Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A. | Deposit date: | 2014-12-18 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
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7RXC
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![BU of 7rxc by Molmil](/molmil-images/mine/7rxc) | CryoEM structure of KDELR with Legobody | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ER lumen protein-retaining receptor 2, Fab_8D3_2 heavy chain, ... | Authors: | Wu, X.D, Rapoport, T.A. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Last modified: | 2021-10-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure determination of small proteins by nanobody-binding scaffolds (Legobodies). Proc.Natl.Acad.Sci.USA, 118, 2021
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8GHE
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![BU of 8ghe by Molmil](/molmil-images/mine/8ghe) | The structure of h12-LOX in tetrameric form bound to endogenous inhibitor oleoyl-CoA | Descriptor: | FE (II) ION, Polyunsaturated fatty acid lipoxygenase ALOX12, S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) | Authors: | Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A. | Deposit date: | 2023-03-09 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (2.05 Å) | Cite: | Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors. Blood, 142, 2023
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