4GWM
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![BU of 4gwm by Molmil](/molmil-images/mine/4gwm) | Crystal structure of human promeprin beta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Arolas, J.L, Broder, C, Jefferson, T, Guevara, T, Sterchi, E.E, Bode, W, Stocker, W, Becker-Pauly, C, Gomis-Ruth, F.X. | Deposit date: | 2012-09-03 | Release date: | 2012-09-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for the sheddase function of human meprin beta metalloproteinase at the plasma membrane Proc.Natl.Acad.Sci.USA, 109, 2012
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8B29
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![BU of 8b29 by Molmil](/molmil-images/mine/8b29) | Human carbonic anhydrase II containing 6-fluorotryptophanes. | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2022-09-13 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy. J.Am.Chem.Soc., 145, 2023
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1OUK
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![BU of 1ouk by Molmil](/molmil-images/mine/1ouk) | The structure of p38 alpha in complex with a pyridinylimidazole inhibitor | Descriptor: | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-1H-IMIDAZOL-2-YL]-PIPERIDINE, Mitogen-activated protein kinase 14, SULFATE ION | Authors: | Fitzgerald, C.E, Patel, S.B, Becker, J.W, Cameron, P.M, Zaller, D, Pikounis, V.B, O'Keefe, S.J, Scapin, G. | Deposit date: | 2003-03-24 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for p38alpha MAP kinase quinazolinone and pyridol-pyrimidine inhibitor specificity Nat.Struct.Biol., 10, 2003
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5MBE
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![BU of 5mbe by Molmil](/molmil-images/mine/5mbe) | Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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1TY9
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![BU of 1ty9 by Molmil](/molmil-images/mine/1ty9) | X-RAY CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS | Descriptor: | FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION | Authors: | Parsons, J.F, Eisenstein, E, Ladner, J.E. | Deposit date: | 2004-07-07 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the phenazine biosynthesis enzyme PhzG. Acta Crystallogr.,Sect.D, 60, 2004
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1P0F
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![BU of 1p0f by Molmil](/molmil-images/mine/1p0f) | Crystal Structure of the Binary Complex: NADP(H)-Dependent Vertebrate Alcohol Dehydrogenase (ADH8) with the cofactor NADP | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent ALCOHOL DEHYDROGENASE, ... | Authors: | Rosell, A, Valencia, E, Pares, X, Fita, I, Farres, J, Ochoa, W.F. | Deposit date: | 2003-04-10 | Release date: | 2003-04-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the vertebrate NADP(H)-dependent alcohol dehydrogenase (ADH8) J.Mol.Biol., 330, 2003
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5YT2
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![BU of 5yt2 by Molmil](/molmil-images/mine/5yt2) | Crystal structure of the human vitamin D receptor ligand binding domain complexed with (1R,2S,3R)-5-[(E)-2-{(1R,3aS,7aR)-1-[(R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl}vinyl]-2-(3-hydroxypropyl)cyclohex-4-ene-1,3-diol | Descriptor: | (1R,2S,3R)-5-[(E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-2-(3-oxidanylpropyl)cyclohex-4-ene-1,3-diol, Vitamin D3 receptor | Authors: | Takimoto-Kamimura, M, Kakuda, S. | Deposit date: | 2017-11-16 | Release date: | 2018-04-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of 2-substitution on 14-epi-19-nortachysterol-mediated biological events: based on synthesis and X-ray co-crystallographic analysis with the human vitamin D receptor. Org. Biomol. Chem., 16, 2018
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3J4K
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![BU of 3j4k by Molmil](/molmil-images/mine/3j4k) | Cryo-EM structures of the actin:tropomyosin filament reveal the mechanism for the transition from C- to M-state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Sousa, D.R, Stagg, S.M, Stroupe, M.E. | Deposit date: | 2013-08-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | Cryo-EM Structures of the Actin:Tropomyosin Filament Reveal the Mechanism for the Transition from C- to M-State. J.Mol.Biol., 425, 2013
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1ZAY
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![BU of 1zay by Molmil](/molmil-images/mine/1zay) | PURINE REPRESSOR-HYPOXANTHINE-MODIFIED-PURF-OPERATOR COMPLEX | Descriptor: | DNA (5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*TP*(1AP)P*TP*TP*TP*TP*CP*GP*T)-3'), HYPOXANTHINE, PROTEIN (PURINE REPRESSOR) | Authors: | Zheleznova, E.E, Brennan, R.G. | Deposit date: | 1998-12-16 | Release date: | 1999-12-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Roles of Exocyclic Groups in the Central Base-Pair Step in Modulating the Affinity of PurR for its Operator To be Published
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5M7W
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![BU of 5m7w by Molmil](/molmil-images/mine/5m7w) | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D2) | Descriptor: | Eukaryotic translation initiation factor 4E, GLYCEROL, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate | Authors: | Warminski, M, Nowak, E, Kowalska, J, Jemielity, J, Nowotny, M. | Deposit date: | 2016-10-28 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Translation initiation factor 4E in complex with (SP)-m2(7,2'O)GppSpG mRNA 5' cap analog (beta-S-ARCA D2) To Be Published
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1P4G
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![BU of 1p4g by Molmil](/molmil-images/mine/1p4g) | Crystal structure of glycogen phosphorylase b in complex with C-(1-azido-alpha-D-glucopyranosyl)formamide | Descriptor: | C-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDE, Glycogen phosphorylase, muscle form, ... | Authors: | Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P. | Deposit date: | 2003-04-23 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase Biocatal.Biotransfor., 21, 2003
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1P6K
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![BU of 1p6k by Molmil](/molmil-images/mine/1p6k) | Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, D-MANNITOL, ... | Authors: | Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L. | Deposit date: | 2003-04-29 | Release date: | 2004-01-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase. Nat.Struct.Mol.Biol., 11, 2004
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8ADD
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![BU of 8add by Molmil](/molmil-images/mine/8add) | Viral tegument-like DUBs | Descriptor: | ATP-dependent DNA helicase | Authors: | Erven, I, Abraham, E.T, Hermanns, T, Hofmann, K, Baumann, U. | Deposit date: | 2022-07-08 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins. Nat Commun, 13, 2022
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1TZL
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![BU of 1tzl by Molmil](/molmil-images/mine/1tzl) | Crystal Structure of Pyranose 2-Oxidase from the White-Rot Fungus Peniophora sp. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, pyranose oxidase | Authors: | Bannwarth, M, Bastian, S, Heckmann-Pohl, D, Giffhorn, F, Schulz, G.E. | Deposit date: | 2004-07-10 | Release date: | 2004-10-19 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of pyranose 2-oxidase from the white-rot fungus peniophora sp. Biochemistry, 43, 2004
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8ADC
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![BU of 8adc by Molmil](/molmil-images/mine/8adc) | Viral tegument-like DUBs | Descriptor: | Viral deubiquitinating enzyme | Authors: | Erven, I, Abraham, E.T, Hermanns, T, Baumann, U, Hofmann, K. | Deposit date: | 2022-07-08 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A widely distributed family of eukaryotic and bacterial deubiquitinases related to herpesviral large tegument proteins. Nat Commun, 13, 2022
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5X19
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![BU of 5x19 by Molmil](/molmil-images/mine/5x19) | CO bound cytochrome c oxidase at 100 micro sec after pump laser irradiation to release CO from O2 reduction center | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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5D1Y
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![BU of 5d1y by Molmil](/molmil-images/mine/5d1y) | Low resolution crystal structure of human ribonucleotide reductase alpha6 hexamer in complex with dATP | Descriptor: | Ribonucleoside-diphosphate reductase large subunit | Authors: | Ando, N, Li, H, Brignole, E.J, Thompson, S, McLaughlin, M.I, Page, J, Asturias, F, Stubbe, J, Drennan, C.L. | Deposit date: | 2015-08-04 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (9.005 Å) | Cite: | Allosteric Inhibition of Human Ribonucleotide Reductase by dATP Entails the Stabilization of a Hexamer. Biochemistry, 55, 2016
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5MH1
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![BU of 5mh1 by Molmil](/molmil-images/mine/5mh1) | Crystal structure of a DM9 domain containing protein from Crassostrea gigas | Descriptor: | GLYCEROL, MAGNESIUM ION, Natterin-3, ... | Authors: | Weinert, T, Warkentin, E, Pang, G. | Deposit date: | 2016-11-22 | Release date: | 2017-12-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | DM9 Domain Containing Protein Functions As a Pattern Recognition Receptor with Broad Microbial Recognition Spectrum. Front Immunol, 8, 2017
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5MH5
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![BU of 5mh5 by Molmil](/molmil-images/mine/5mh5) | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution) | Descriptor: | 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ... | Authors: | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | Deposit date: | 2016-11-23 | Release date: | 2018-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism To Be Published
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5X1F
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![BU of 5x1f by Molmil](/molmil-images/mine/5x1f) | CO bound cytochrome c oxidase without pump laser irradiation at 278K | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-08-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase. Sci Adv, 3, 2017
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2N5M
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![BU of 2n5m by Molmil](/molmil-images/mine/2n5m) | Unveiling the structural determinants of KIAA0323 binding preference for NEDD8 | Descriptor: | Protein KHNYN | Authors: | Santonico, E, Nepravishta, R, Mattioni, A, Valentini, E, Mandaliti, W, Procopio, R, Iannuccelli, M, Castagnoli, L, Polo, S, Paci, M, Cesareni, G. | Deposit date: | 2015-07-21 | Release date: | 2016-07-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Unveiling the structural determinants of KIAA0323 binding preference for NEDD8. To be Published
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2Y6Z
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![BU of 2y6z by Molmil](/molmil-images/mine/2y6z) | Crystallographic structure of GM23 an example of Catalytic migration from TIM to thiamin phosphate synthase. | Descriptor: | PYROPHOSPHATE 2-, THIAMIN PHOSPHATE, TRIOSE-PHOSPHATE ISOMERASE | Authors: | Saab-Rincon, G, Olvera, L, Olvera, M, Rudino-Pinera, E, Soberon, X, Morett, E. | Deposit date: | 2011-01-27 | Release date: | 2011-12-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Evolutionary Walk between (Beta/Alpha)(8) Barrels: Catalytic Migration from Triosephosphate Isomerase to Thiamin Phosphate Synthase. J.Mol.Biol., 416, 2012
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5MI7
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![BU of 5mi7 by Molmil](/molmil-images/mine/5mi7) | BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc | Descriptor: | CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ... | Authors: | Darby, J.F, Davies, G.J, Hubbard, R.E. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Increase of enzyme activity through specific covalent modification with fragments. Chem Sci, 8, 2017
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3CF6
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![BU of 3cf6 by Molmil](/molmil-images/mine/3cf6) | Structure of Epac2 in complex with cyclic-AMP and Rap | Descriptor: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL, Rap guanine nucleotide exchange factor (GEF) 4, Ras-related protein Rap-1b, ... | Authors: | Rehmann, H, Arias-Palomo, E, Hadders, M.A, Schwede, F, Llorca, O, Bos, J.L. | Deposit date: | 2008-03-02 | Release date: | 2008-07-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Epac2 in complex with a cyclic AMP analogue and RAP1B Nature, 455, 2008
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5M6X
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![BU of 5m6x by Molmil](/molmil-images/mine/5m6x) | Crystal Structure of human RhoGAP mutated in its arginine finger (R85A) in complex with RhoA.GDP.MgF3- human | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | Authors: | Pellegrini, E, Bowler, M.W. | Deposit date: | 2016-10-26 | Release date: | 2017-05-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, (19) F NMR, and DFT Approaches. Angew. Chem. Int. Ed. Engl., 56, 2017
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