8BFG
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![BU of 8bfg by Molmil](/molmil-images/mine/8bfg) | Solution structure of human apo/Calmodulin G113R (G114R) | Descriptor: | Calmodulin-1 | Authors: | Wimmer, R, Holler, C.V, Petersson, N.M, Brohus, M.B, Niemelae, M, Overgaard, M.T, Iwai, H. | Deposit date: | 2022-10-25 | Release date: | 2023-10-04 | Last modified: | 2024-01-17 | Method: | SOLUTION NMR | Cite: | Allosteric changes in protein stability and dynamics as pathogenic mechanism for calmodulin variants not affecting Ca 2+ coordinating residues. Cell Calcium, 117, 2023
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7NM9
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![BU of 7nm9 by Molmil](/molmil-images/mine/7nm9) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-110 | Descriptor: | 14-3-3 protein sigma, 6-(2-bromanylimidazol-1-yl)pyridine-3-carbaldehyde, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-23 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NK3
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![BU of 7nk3 by Molmil](/molmil-images/mine/7nk3) | 14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-128 | Descriptor: | 14-3-3 protein sigma, 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline, CALCIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-17 | Release date: | 2021-06-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Exploration of Chemical Properties Required for Cooperative Stabilization of the 14-3-3 Interaction with NF-kappa B-Utilizing a Reversible Covalent Tethering Approach. J.Med.Chem., 64, 2021
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7NIF
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![BU of 7nif by Molmil](/molmil-images/mine/7nif) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound TCF521-011 | Descriptor: | 1-(4-methylphenyl)imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-12 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6OEB
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![BU of 6oeb by Molmil](/molmil-images/mine/6oeb) | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-27 | Release date: | 2019-04-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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7S2S
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![BU of 7s2s by Molmil](/molmil-images/mine/7s2s) | nanobody bound to Interleukin-2Rbeta | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, IL2Rb-binding nanobody, Interleukin-2 receptor subunit beta, ... | Authors: | Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C. | Deposit date: | 2021-09-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Facile discovery of surrogate cytokine agonists. Cell, 185, 2022
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6ERY
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![BU of 6ery by Molmil](/molmil-images/mine/6ery) | |
7NJ8
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![BU of 7nj8 by Molmil](/molmil-images/mine/7nj8) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1007 | Descriptor: | 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6RRH
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![BU of 6rrh by Molmil](/molmil-images/mine/6rrh) | GOLGI ALPHA-MANNOSIDASE II | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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7S2R
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![BU of 7s2r by Molmil](/molmil-images/mine/7s2r) | nanobody bound to IL-2Rg | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ... | Authors: | Glassman, C.R, Jude, K.M, Yen, M, Garcia, K.C. | Deposit date: | 2021-09-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Facile discovery of surrogate cytokine agonists. Cell, 185, 2022
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2LQJ
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7NJ6
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![BU of 7nj6 by Molmil](/molmil-images/mine/7nj6) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1005 | Descriptor: | 14-3-3 protein sigma, 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-02-16 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NIX
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![BU of 7nix by Molmil](/molmil-images/mine/7nix) | 14-3-3 sigma with AS160 binding site pT642 | Descriptor: | 14-3-3 protein sigma, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, MAGNESIUM ION, ... | Authors: | Wolter, M, Ottmann, C. | Deposit date: | 2021-02-14 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6LK3
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![BU of 6lk3 by Molmil](/molmil-images/mine/6lk3) | The Functional Characterization and Crystal Structure of Type II Peptidyl Carrier Protein ColA1a in Collismycins Biosynthesis | Descriptor: | Putative free-standing acyl carrier protein | Authors: | Ma, X.Y, Wang, G.Y, Liu, T, Chi, C.B, Zhang, Z.Y, Yang, D.H, Liu, W, Ma, M. | Deposit date: | 2019-12-18 | Release date: | 2020-10-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The functional characterization and crystal structure of type II peptidyl carrier protein ColA1a in collismycins biosynthesis. Chin.J.Chem., 38, 2020
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8OVH
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![BU of 8ovh by Molmil](/molmil-images/mine/8ovh) | |
6I90
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6LKD
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![BU of 6lkd by Molmil](/molmil-images/mine/6lkd) | in meso full-length rat KMO in complex with a pyrazoyl benzoic acid inhibitor | Descriptor: | 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Mimasu, S, Yamagishi, H, Kiyohara, M, Kakefuda, K, Okuda, T. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Full-length in meso structure and mechanism of rat kynurenine 3-monooxygenase inhibition. Commun Biol, 4, 2021
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1WE6
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![BU of 1we6 by Molmil](/molmil-images/mine/1we6) | Solution structure of Ubiquitin-like domain in splicing factor AAL91182 | Descriptor: | splicing factor, putative | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-24 | Release date: | 2004-11-24 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Ubiquitin-like domain in splicing factor AAL91182 To be Published
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1IXO
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![BU of 1ixo by Molmil](/molmil-images/mine/1ixo) | Enzyme-analogue substrate complex of Pyridoxine 5'-Phosphate Synthase | Descriptor: | Pyridoxine 5'-Phosphate synthase, SN-GLYCEROL-3-PHOSPHATE | Authors: | Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. | Deposit date: | 2002-06-28 | Release date: | 2003-02-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis J.MOL.BIOL., 321, 2002
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6LKT
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![BU of 6lkt by Molmil](/molmil-images/mine/6lkt) | Crystal structure of the Fab fragment of murine monoclonal antibody KH-1 against Human herpesvirus 6B | Descriptor: | antibody Fab Fragment L-chain, antibody Fab fragment H chain | Authors: | Nishimura, M, Novita, B.D, Kato, T, Tjan, L.H, Wang, B, Wakata, A, Poetranto, A.L, Kawabata, A, Tang, H, Aoshi, T, Mori, Y. | Deposit date: | 2019-12-20 | Release date: | 2020-06-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for the interaction of human herpesvirus 6B tetrameric glycoprotein complex with the cellular receptor, human CD134. Plos Pathog., 16, 2020
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6UI4
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![BU of 6ui4 by Molmil](/molmil-images/mine/6ui4) | Crystal structure of phenamacril-bound F. graminearum myosin I | Descriptor: | Calmodulin, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zhou, Y, Zhou, X.E, Gong, Y, Zhu, Y, Xu, H.E, Zhou, M, Melcher, K, Zhang, F. | Deposit date: | 2019-09-30 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis of Fusarium myosin I inhibition by phenamacril. Plos Pathog., 16, 2020
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1WEW
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![BU of 1wew by Molmil](/molmil-images/mine/1wew) | Solution structure of PHD domain in DNA-binding family protein AAM98074 | Descriptor: | DNA-binding family protein, ZINC ION | Authors: | He, F, Muto, Y, Inoue, M, Kigawa, T, Shirouzu, M, Terada, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-05-25 | Release date: | 2004-11-25 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of PHD domain in DNA-binding family protein AAM98074 To be Published
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7SEZ
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![BU of 7sez by Molmil](/molmil-images/mine/7sez) | Crystal structure of Vaccinia Virus decapping enzyme D9 in complex with m7GDP | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, DNA repair NTP-phosphohydrolase, SODIUM ION | Authors: | Peters, J.K, Tibble, R.W, Warminski, M, Jemielity, J, Gross, J.D. | Deposit date: | 2021-10-02 | Release date: | 2022-03-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.70001245 Å) | Cite: | Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis. Structure, 30, 2022
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6I46
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![BU of 6i46 by Molmil](/molmil-images/mine/6i46) | Structure of P. aeruginosa LpxC with compound 8: (2RS)-4-(5-(2-Fluoro-4-methoxyphenyl)-2-oxooxazol-3(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Descriptor: | (2~{R})-4-[5-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-1,3-oxazol-3-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide, GLYCEROL, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | Authors: | Surivet, J.-P, Panchaud, P, Specklin, J.-L, Diethelm, S, Blumstein, A.-C, Gauvin, J.-C, Jacob, L, Masse, F, Mathieu, G, Mirre, A, Schmitt, C, Enderlin-Paput, M, Lange, R, Bur, D, Tidten-Luksch, N, Gnerre, C, Seeland, S, Hermann, C, Locher, H.H, Seiler, P, Mac Sweeney, A, Hubschwerlen, C, Ritz, D, Rueedi, G. | Deposit date: | 2018-11-09 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Novel Inhibitors of LpxC Displaying Potent in Vitro Activity against Gram-Negative Bacteria. J.Med.Chem., 63, 2020
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1RYP
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![BU of 1ryp by Molmil](/molmil-images/mine/1ryp) | CRYSTAL STRUCTURE OF THE 20S PROTEASOME FROM YEAST AT 2.4 ANGSTROMS RESOLUTION | Descriptor: | 20S PROTEASOME, MAGNESIUM ION | Authors: | Groll, M, Ditzel, L, Loewe, J, Stock, D, Bochtler, M, Bartunik, H.D, Huber, R. | Deposit date: | 1997-02-26 | Release date: | 1998-04-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of 20S proteasome from yeast at 2.4 A resolution. Nature, 386, 1997
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