6Z7V
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![BU of 6z7v by Molmil](/molmil-images/mine/6z7v) | Crystal structure of Mindy2 (C266A) in complex with Lys48 linked di-ubiquitin (K48-Ub2) | Descriptor: | POTASSIUM ION, Polyubiquitin-C, TETRAETHYLENE GLYCOL, ... | Authors: | Abdul Rehman, S.A, Lange, S.M, Kulathu, Y. | Deposit date: | 2020-06-01 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
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6ZAO
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![BU of 6zao by Molmil](/molmil-images/mine/6zao) | Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen. | Descriptor: | FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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3ZZO
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7LLQ
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![BU of 7llq by Molmil](/molmil-images/mine/7llq) | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | Descriptor: | 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... | Authors: | Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. | Deposit date: | 2021-02-04 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation. Sci Rep, 12, 2022
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6ZAP
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![BU of 6zap by Molmil](/molmil-images/mine/6zap) | Isopenicillin N synthase in complex with Fe, O2 and ACV under cryo conditions. | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6WBZ
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![BU of 6wbz by Molmil](/molmil-images/mine/6wbz) | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2020-03-28 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 30, 2020
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7LV3
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![BU of 7lv3 by Molmil](/molmil-images/mine/7lv3) | Crystal structure of human protein kinase G (PKG) R-C complex in inhibited state | Descriptor: | 1,2-ETHANEDIOL, Isoform Beta of cGMP-dependent protein kinase 1, MANGANESE (II) ION, ... | Authors: | Sharma, R, Lying, Q, Casteel, D, Kim, C. | Deposit date: | 2021-02-23 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | An auto-inhibited state of protein kinase G and implications for selective activation. Elife, 11, 2022
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6ZAM
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![BU of 6zam by Molmil](/molmil-images/mine/6zam) | Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. | Descriptor: | 1,1,1-tris(fluoranyl)propan-2-one, 1,1,1-tris(fluoranyl)propane-2,2-diol, FE (III) ION, ... | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | Deposit date: | 2020-06-05 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis. Sci Adv, 7, 2021
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6CHO
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![BU of 6cho by Molmil](/molmil-images/mine/6cho) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-2-((1-(3-(4-methoxyphenoxy)phenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | Descriptor: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
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6CKW
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![BU of 6ckw by Molmil](/molmil-images/mine/6ckw) | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-((7-(((S)-2-amino-2-(2-methoxyphenyl)ethyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)-3-(3-chlorophenyl)propanenitrile | Descriptor: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-03-01 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
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6CAR
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![BU of 6car by Molmil](/molmil-images/mine/6car) | Serial Femtosecond X-ray Crystal Structure of 30S ribosomal subunit from Thermus thermophilus in complex with Sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, ... | Authors: | DeMirci, H. | Deposit date: | 2018-01-31 | Release date: | 2018-07-25 | Last modified: | 2018-10-24 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Aminoglycoside ribosome interactions reveal novel conformational states at ambient temperature. Nucleic Acids Res., 46, 2018
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6Z90
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![BU of 6z90 by Molmil](/molmil-images/mine/6z90) | Crystal structure of MINDY1 mutant-P138A | Descriptor: | Ubiquitin carboxyl-terminal hydrolase MINDY-1 | Authors: | Abdul Rehman, S.A, Kulathu, Y. | Deposit date: | 2020-06-03 | Release date: | 2021-06-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2. Mol.Cell, 81, 2021
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6CCO
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6CCQ
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6Z71
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![BU of 6z71 by Molmil](/molmil-images/mine/6z71) | Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2020-05-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proc.Natl.Acad.Sci.USA, 118, 2021
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6Z70
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![BU of 6z70 by Molmil](/molmil-images/mine/6z70) | Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Aq128 | Authors: | Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H. | Deposit date: | 2020-05-29 | Release date: | 2021-12-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The structure of the Aquifex aeolicus MATE family multidrug resistance transporter and sequence comparisons suggest the existence of a new subfamily. Proc.Natl.Acad.Sci.USA, 118, 2021
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1TUL
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![BU of 1tul by Molmil](/molmil-images/mine/1tul) | STRUCTURE OF TLP20 | Descriptor: | TLP20 | Authors: | Rayment, I, Holden, H.M. | Deposit date: | 1996-08-17 | Release date: | 1997-02-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular structure of a proteolytic fragment of TLP20. Acta Crystallogr.,Sect.D, 52, 1996
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6ZH0
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![BU of 6zh0 by Molmil](/molmil-images/mine/6zh0) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ... | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | Deposit date: | 2020-06-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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6BSL
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![BU of 6bsl by Molmil](/molmil-images/mine/6bsl) | BMP1 complexed with a reverse hydroxymate - compound 22 | Descriptor: | 1,2-ETHANEDIOL, Bone morphogenetic protein 1, N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid, ... | Authors: | Gampe, R, Shewchuk, L. | Deposit date: | 2017-12-04 | Release date: | 2018-08-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. ACS Med Chem Lett, 9, 2018
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1UDB
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1UDC
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6VZ8
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![BU of 6vz8 by Molmil](/molmil-images/mine/6vz8) | |
7JU8
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![BU of 7ju8 by Molmil](/molmil-images/mine/7ju8) | X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | Authors: | Farrow, N.A. | Deposit date: | 2020-08-19 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Indole Inhibitors of MMP-13 for Arthritic Disorders Acs Omega, 6, 2021
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1UDA
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6MCJ
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![BU of 6mcj by Molmil](/molmil-images/mine/6mcj) | |