5MYK
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6SZM
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![BU of 6szm by Molmil](/molmil-images/mine/6szm) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-10-02 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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5MYJ
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![BU of 5myj by Molmil](/molmil-images/mine/5myj) | Structure of 70S ribosome from Lactococcus lactis | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Franken, L.E, Oostergetel, G.T, Pijning, T, Puri, P, Boekema, E.J, Poolman, B, Guskov, A. | Deposit date: | 2017-01-26 | Release date: | 2017-10-11 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | A general mechanism of ribosome dimerization revealed by single-particle cryo-electron microscopy. Nat Commun, 8, 2017
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6PLJ
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![BU of 6plj by Molmil](/molmil-images/mine/6plj) | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. | Deposit date: | 2019-07-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) To Be Published
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6VP2
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![BU of 6vp2 by Molmil](/molmil-images/mine/6vp2) | Artificial Metalloproteins with Dinuclear Iron Centers | Descriptor: | ACETATE ION, AZIDE ION, Streptavidin, ... | Authors: | Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S. | Deposit date: | 2020-02-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers. J.Am.Chem.Soc., 143, 2021
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5MS9
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7TLI
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![BU of 7tli by Molmil](/molmil-images/mine/7tli) | THERMOLYSIN (90% ISOPROPANOL SOAKED CRYSTALS) | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ... | Authors: | English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E. | Deposit date: | 1998-10-30 | Release date: | 2000-03-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol. Proteins, 37, 1999
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6VI8
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![BU of 6vi8 by Molmil](/molmil-images/mine/6vi8) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound structure | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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8PT8
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![BU of 8pt8 by Molmil](/molmil-images/mine/8pt8) | JNK1 covalently bound to RU135 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate | Authors: | Sok, P, Poti, A, Remenyi, A. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond To Be Published
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6VIA
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![BU of 6via by Molmil](/molmil-images/mine/6via) | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered lactone bound structure | Descriptor: | (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, ... | Authors: | Wang, Y, Liu, F, Yang, Y, Liu, A. | Deposit date: | 2020-01-12 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Observing 3-hydroxyanthranilate-3,4-dioxygenase in action through a crystalline lens. Proc.Natl.Acad.Sci.USA, 117, 2020
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6Z1F
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![BU of 6z1f by Molmil](/molmil-images/mine/6z1f) | CryoEM structure of Rubisco Activase with its substrate Rubisco from Nostoc sp. (strain PCC7120) | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2020-05-13 | Release date: | 2020-09-23 | Last modified: | 2021-04-07 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes. Cell, 183, 2020
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6Z2Q
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![BU of 6z2q by Molmil](/molmil-images/mine/6z2q) | Crystal structure of wild type OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (GalGalNAc-TS) product | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Glycodrosocin, ... | Authors: | Trastoy, B, Naegali, A, Anso, I, Sjogren, J, Guerin, M.E. | Deposit date: | 2020-05-18 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun, 11, 2020
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8U0P
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![BU of 8u0p by Molmil](/molmil-images/mine/8u0p) | Synaptic complex of human DNA polymerase Lambda DL variant engaged on a noncomplementary DNA double-strand break | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*AP*GP*TP*AP*C)-3'), ... | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A. | Deposit date: | 2023-08-29 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining. DNA Repair (Amst), 136, 2024
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8FME
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8FOS
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6VM6
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![BU of 6vm6 by Molmil](/molmil-images/mine/6vm6) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-cAAA | Descriptor: | 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3'), SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-01-27 | Release date: | 2020-06-17 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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8PT0
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![BU of 8pt0 by Molmil](/molmil-images/mine/8pt0) | ERK2 covelently bound to RU75 cyclohexenone based inhibitor | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | Deposit date: | 2023-07-13 | Release date: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold To Be Published
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6P7M
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![BU of 6p7m by Molmil](/molmil-images/mine/6p7m) | Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (1:2 complex) | Descriptor: | Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ... | Authors: | Knott, G.J, Liu, J.J, Doudna, J.A. | Deposit date: | 2019-06-06 | Release date: | 2019-08-21 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a. Elife, 8, 2019
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6MJS
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![BU of 6mjs by Molmil](/molmil-images/mine/6mjs) | Azurin 122W/124W/126Re | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Zalis, S, Gray, H.B, Vlcek, A, Winkler, J.R, Williamson, H, Kaiser, J.T, Heyda, J, Hollas, D. | Deposit date: | 2018-09-21 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein. ACS Cent Sci, 5, 2019
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5N16
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![BU of 5n16 by Molmil](/molmil-images/mine/5n16) | First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1) | Descriptor: | 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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5N3B
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8FW2
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![BU of 8fw2 by Molmil](/molmil-images/mine/8fw2) | Cryo-EM structure of full-length human NLRC4 inflammasome with C11 symmetry | Descriptor: | NLR family CARD domain-containing protein 4 | Authors: | Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S. | Deposit date: | 2023-01-20 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing. Nat.Struct.Mol.Biol., 31, 2024
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8FVU
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![BU of 8fvu by Molmil](/molmil-images/mine/8fvu) | Cryo-EM structure of human Needle/NAIP/NLRC4 (R288A) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1, Lethal factor,Type III secretion system protein, ... | Authors: | Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S. | Deposit date: | 2023-01-19 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing. Nat.Struct.Mol.Biol., 31, 2024
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6ZD9
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![BU of 6zd9 by Molmil](/molmil-images/mine/6zd9) | Crystal structure of YTHDC1 apo purified using GST tag | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Caflisch, A. | Deposit date: | 2020-06-14 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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8FW9
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![BU of 8fw9 by Molmil](/molmil-images/mine/8fw9) | Cryo-EM structure of full-length human NLRC4 inflammasome with C12 symmetry | Descriptor: | NLR family CARD domain-containing protein 4 | Authors: | Matico, R.E, Yu, X, Miller, R, Somani, S, Ricketts, M.D, Kumar, N, Steele, R.A, Medley, Q, Berger, S, Faustin, B, Sharma, S. | Deposit date: | 2023-01-20 | Release date: | 2024-01-03 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (4.46 Å) | Cite: | Structural basis of the human NAIP/NLRC4 inflammasome assembly and pathogen sensing. Nat.Struct.Mol.Biol., 31, 2024
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