2BIC
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![BU of 2bic by Molmil](/molmil-images/mine/2bic) | The solution structure of the recombinant elicitor protein PcF from the oomycete pathogen P. cactorum | Descriptor: | PHYTOTOXIC PROTEIN PCF | Authors: | Nicastro, G, Orsomando, G, Desario, F, Ferrari, E, Manconi, L, Spisni, A, Ruggieri, S. | Deposit date: | 2005-01-20 | Release date: | 2006-06-28 | Last modified: | 2020-01-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Phytotoxic Protein Pcf: The First Characterized Member of the Phytophthora Pcf Toxin Family. Protein Sci., 18, 2009
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4H12
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![BU of 4h12 by Molmil](/molmil-images/mine/4h12) | The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-09-10 | Release date: | 2012-10-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2. J.Am.Chem.Soc., 134, 2012
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6T4N
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![BU of 6t4n by Molmil](/molmil-images/mine/6t4n) | Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide | Descriptor: | 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-10-14 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
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6FMN
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![BU of 6fmn by Molmil](/molmil-images/mine/6fmn) | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((2R,3S,4R,5R)-3,4-dihydroxy-5-methoxytetrahydrofuran-2-yl)methyl)amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | Descriptor: | 6-azanyl-2-[[(2~{R},3~{S},4~{R},5~{R})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3,7-dihydroimidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Nguyen, A, Heine, A, Klebe, G. | Deposit date: | 2018-02-01 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase. Chemistry, 24, 2018
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7BML
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5AR3
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![BU of 5ar3 by Molmil](/molmil-images/mine/5ar3) | RIP2 Kinase Catalytic Domain (1 - 310) complex with AMP-PCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-23 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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5E5K
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![BU of 5e5k by Molmil](/molmil-images/mine/5e5k) | Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3 | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 protease | Authors: | Kovalevsky, A.Y, Das, A. | Deposit date: | 2015-10-08 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | NEUTRON DIFFRACTION (1.75 Å), X-RAY DIFFRACTION | Cite: | Long-Range Electrostatics-Induced Two-Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site. Angew.Chem.Int.Ed.Engl., 55, 2016
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7C0Q
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![BU of 7c0q by Molmil](/molmil-images/mine/7c0q) | a Legionella pneumophila effector Lpg2505 | Descriptor: | GLYCEROL, effector Lpg2505 | Authors: | Chen, T.T, Han, A.D, Luo, Z.Q, McCloskey, A, Perri, K. | Deposit date: | 2020-05-01 | Release date: | 2021-02-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The metaeffector MesI regulates the activity of the Legionella effector SidI through direct protein-protein interactions. Microbes Infect., 23, 2021
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5ARE
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![BU of 5are by Molmil](/molmil-images/mine/5are) | Bovine mitochondrial ATP synthase state 1b | Descriptor: | ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ... | Authors: | Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM. Elife, 4, 2015
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1XMK
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![BU of 1xmk by Molmil](/molmil-images/mine/1xmk) | The Crystal structure of the Zb domain from the RNA editing enzyme ADAR1 | Descriptor: | CADMIUM ION, CHLORIDE ION, Double-stranded RNA-specific adenosine deaminase, ... | Authors: | Athanasiadis, A, Placido, D, Maas, S, Brown II, B.A, Lowenhaupt, K, Rich, A. | Deposit date: | 2004-10-03 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | The Crystal Structure of the Z[beta] Domain of the RNA-editing Enzyme ADAR1 Reveals Distinct Conserved Surfaces Among Z-domains. J.Mol.Biol., 351, 2005
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3F9R
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![BU of 3f9r by Molmil](/molmil-images/mine/3f9r) | Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370 | Descriptor: | MAGNESIUM ION, Phosphomannomutase, SULFATE ION | Authors: | Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Guther, L, Shamshad, A, MacKenzie, F, Bandini, G, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2008-11-14 | Release date: | 2009-03-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Trypanosoma Brucei phosphomannosemutase, TB.10.700.370 To be Published
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6RJ6
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![BU of 6rj6 by Molmil](/molmil-images/mine/6rj6) | Crystal structure of PHGDH in complex with BI-4924 | Descriptor: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | Authors: | Bader, G, Wolkerstorfer, B, Zoephel, A. | Deposit date: | 2019-04-26 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis. J.Med.Chem., 62, 2019
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5AP5
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![BU of 5ap5 by Molmil](/molmil-images/mine/5ap5) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | (2-hydroxyethoxy)acetaldehyde, 1,2-ETHANEDIOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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1XPP
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![BU of 1xpp by Molmil](/molmil-images/mine/1xpp) | Crystal Structure of TA1416,DNA-directed RNA polymerase subunit L, from Thermoplasma acidophilum | Descriptor: | ACETIC ACID, DNA-directed RNA polymerase subunit L, FORMIC ACID, ... | Authors: | Kim, Y, Joachimiak, A, Evdokimova, E, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-10-09 | Release date: | 2004-11-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of TA1416, DNA-directed RNA polymerase subunit L, from Thermoplasma acidophilum To be Published
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4GUY
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![BU of 4guy by Molmil](/molmil-images/mine/4guy) | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | Deposit date: | 2012-08-30 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors. To be Published
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5MJL
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![BU of 5mjl by Molmil](/molmil-images/mine/5mjl) | Single-shot pink beam serial crystallography: Proteinase K | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V. | Deposit date: | 2016-12-01 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.21013784 Å) | Cite: | Pink-beam serial crystallography. Nat Commun, 8, 2017
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5AZ0
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![BU of 5az0 by Molmil](/molmil-images/mine/5az0) | Crystal structure of aldo-keto reductase (AKR2E5) of the silkworm, Bombyx mori | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Yamamoto, K, Higashiura, A, Suzuki, M, Nakagawa, A. | Deposit date: | 2015-09-15 | Release date: | 2016-02-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of an aldo-keto reductase (AKR2E5) from the silkworm Bombyx mori Biochem.Biophys.Res.Commun., 474, 2016
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6JLF
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2KO6
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![BU of 2ko6 by Molmil](/molmil-images/mine/2ko6) | Solution structure of protein sf3929 from Shigella flexneri 2a. Northeast Structural Genomics Consortium target SfR81/Ontario Center for Structural Proteomics Target sf3929 | Descriptor: | Uncharacterized protein yihD | Authors: | Wu, B, Yee, A, Fares, C, Lemak, A, Semest, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP) | Deposit date: | 2009-09-10 | Release date: | 2009-09-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution Structure of protein sf3929 from Shigella flexneri 2a. Northeast Structural Genomics Consortium target SfR81/Ontario Center for Structural Proteomics Target sf3929 To be Published
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1YZG
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![BU of 1yzg by Molmil](/molmil-images/mine/1yzg) | Structure of Human ADP-ribosylation factor-like 8 | Descriptor: | ADP-ribosylation factor-like 8, GUANOSINE-5'-DIPHOSPHATE | Authors: | Choe, J, Atanassova, A, Arrowsmith, C, Edwards, A, Sundstrom, M, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2005-02-28 | Release date: | 2005-03-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Human ADP-ribosylation factor-like 8 To be Published, 2005
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6Y4U
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![BU of 6y4u by Molmil](/molmil-images/mine/6y4u) | Crystal structure of p38 in complex with SR65 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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5MOB
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![BU of 5mob by Molmil](/molmil-images/mine/5mob) | ABA RECEPTOR FROM TOMATO, SlPYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, SULFATE ION, SlPYL1_ABA | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | Deposit date: | 2016-12-14 | Release date: | 2017-08-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.669 Å) | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant, 10, 2017
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7BD7
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6GJV
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7BRD
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![BU of 7brd by Molmil](/molmil-images/mine/7brd) | Crystal structure of Peptidyl-tRNA hydrolase from Klebsiella pneumoniae | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Mundra, S, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | Deposit date: | 2020-03-27 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Structural and functional characterization of peptidyl-tRNA hydrolase from Klebsiella pneumoniae. Biochim Biophys Acta Proteins Proteom, 1869, 2021
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