7XQA
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![BU of 7xqa by Molmil](/molmil-images/mine/7xqa) | Orf1-glycine complex | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase | Authors: | Wang, Y.L, Li, T.L. | Deposit date: | 2022-05-07 | Release date: | 2023-05-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry. Nat Commun, 14, 2023
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6A1T
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![BU of 6a1t by Molmil](/molmil-images/mine/6a1t) | Charcot-Leyden crystal protein/Galectin-10 variant E33A with lactose | Descriptor: | Galectin-10, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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6DHH
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![BU of 6dhh by Molmil](/molmil-images/mine/6dhh) | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | Deposit date: | 2018-05-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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4C8V
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![BU of 4c8v by Molmil](/molmil-images/mine/4c8v) | Xenopus RSPO2 Fu1-Fu2 crystal form I | Descriptor: | R-SPONDIN-2 | Authors: | Zebisch, M, Jones, E.Y. | Deposit date: | 2013-10-01 | Release date: | 2013-11-20 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Molecular Basis of Znrf3/Rnf43 Transmembrane Ubiquitin Ligase Inhibition by the Wnt Agonist R-Spondin. Nat.Commun., 4, 2013
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6A1U
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![BU of 6a1u by Molmil](/molmil-images/mine/6a1u) | Charcot-Leyden crystal protein/Galectin-10 variant E33D | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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3WFC
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![BU of 3wfc by Molmil](/molmil-images/mine/3wfc) | Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment | Descriptor: | CALCIUM ION, CARBON MONOXIDE, FE (III) ION, ... | Authors: | Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T. | Deposit date: | 2013-07-18 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes. Proteins, 82, 2014
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6A1Y
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![BU of 6a1y by Molmil](/molmil-images/mine/6a1y) | Charcot-Leyden crystal protein/Galectin-10 variant Y35A | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
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1DFJ
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4MSL
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![BU of 4msl by Molmil](/molmil-images/mine/4msl) | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431 | Descriptor: | N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ... | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | Deposit date: | 2013-09-18 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex. Acta Crystallogr.,Sect.D, 70, 2014
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2ZZD
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![BU of 2zzd by Molmil](/molmil-images/mine/2zzd) | Recombinant thiocyanate hydrolase, air-oxidized form of holo-enzyme | Descriptor: | COBALT (III) ION, L(+)-TARTARIC ACID, Thiocyanate hydrolase subunit alpha, ... | Authors: | Arakawa, T, Kawano, Y, Katayama, Y, Yohda, M, Odaka, M. | Deposit date: | 2009-02-09 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Basis for Catalytic Activation of Thiocyanate Hydrolase Involving Metal-Ligated Cysteine Modification J.Am.Chem.Soc., 131, 2009
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1TQQ
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![BU of 1tqq by Molmil](/molmil-images/mine/1tqq) | Structure of TolC in complex with hexamminecobalt | Descriptor: | COBALT HEXAMMINE(III), Outer membrane protein tolC | Authors: | Higgins, M.K, Eswaran, J, Edwards, P.C, Schertler, G.F, Hughes, C, Koronakis, V. | Deposit date: | 2004-06-18 | Release date: | 2004-07-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of the ligand-blocked periplasmic entrance of the bacterial multidrug effllux protein TolC J.Mol.Biol., 342, 2004
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2OWH
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![BU of 2owh by Molmil](/molmil-images/mine/2owh) | Structure of an early-microsecond photolyzed state of CO-bjFixLH | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL | Authors: | Key, J, Srajer, V, Pahl, R, Moffat, K. | Deposit date: | 2007-02-16 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Time-resolved crystallographic studies of the heme domain of the oxygen sensor FixL: structural dynamics of ligand rebinding and their relation to signal transduction. Biochemistry, 46, 2007
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2LXP
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![BU of 2lxp by Molmil](/molmil-images/mine/2lxp) | NMR structure of two domains in ubiquitin ligase gp78, RING and G2BR, bound to its conjugating enzyme Ube2g | Descriptor: | E3 ubiquitin-protein ligase AMFR, Ubiquitin-conjugating enzyme E2 G2, ZINC ION | Authors: | Das, R, Linag, Y, Mariano, J, Li, J, Huang, T, King, A, Weissman, A, Ji, X, Byrd, R. | Deposit date: | 2012-08-30 | Release date: | 2013-08-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Allosteric regulation of E2:E3 interactions promote a processive ubiquitination machine. Embo J., 32, 2013
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2OWJ
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![BU of 2owj by Molmil](/molmil-images/mine/2owj) | Structure of an early-microsecond photolyzed state of CO-bjFixLH, dark state | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein fixL | Authors: | Key, J, Srajer, V, Pahl, R, Moffat, K. | Deposit date: | 2007-02-16 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Time-resolved crystallographic studies of the heme domain of the oxygen sensor FixL: structural dynamics of ligand rebinding and their relation to signal transduction. Biochemistry, 46, 2007
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2OXQ
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![BU of 2oxq by Molmil](/molmil-images/mine/2oxq) | Structure of the UbcH5 :CHIP U-box complex | Descriptor: | CHLORIDE ION, STIP1 homology and U-Box containing protein 1, Ubiquitin-conjugating enzyme E2D 1 | Authors: | Xu, Z, Nix, J.C, Devlin, K.I, Misra, S. | Deposit date: | 2007-02-20 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interactions between the quality control ubiquitin ligase CHIP and ubiquitin conjugating enzymes. Bmc Struct.Biol., 8, 2008
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2KUD
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4B95
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![BU of 4b95 by Molmil](/molmil-images/mine/4b95) | pVHL-EloB-EloB-EloC complex_(2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide bound | Descriptor: | (2S,4R)-1-(2-chlorophenyl)carbonyl-N-[(4-chlorophenyl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, ACETATE ION, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | Authors: | Buckley, D.L, Gustafson, J.L, VanMolle, I, Roth, A.G, SeopTae, H, Gareiss, P.C, Jorgensen, W.L, Ciulli, A, Crews, C.M. | Deposit date: | 2012-08-31 | Release date: | 2012-10-24 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule Inhibitors of the Interaction between the E3 Ligase Vhl and Hif1Alpha Angew.Chem.Int.Ed.Engl., 51, 2012
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1Z5S
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![BU of 1z5s by Molmil](/molmil-images/mine/1z5s) | Crystal structure of a complex between UBC9, SUMO-1, RANGAP1 and NUP358/RANBP2 | Descriptor: | Ran GTPase-activating protein 1, Ran-binding protein 2, Ubiquitin-conjugating enzyme E2 I, ... | Authors: | Reverter, D, Lima, C.D. | Deposit date: | 2005-03-19 | Release date: | 2005-06-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Insights into E3 ligase activity revealed by a SUMO-RanGAP1-Ubc9-Nup358 complex. Nature, 435, 2005
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2KUF
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2KUE
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2ETZ
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![BU of 2etz by Molmil](/molmil-images/mine/2etz) | The NMR minimized average structure of the Itk SH2 domain bound to a phosphopeptide | Descriptor: | Lymphocyte cytosolic protein 2 phosphopeptide fragment, Tyrosine-protein kinase ITK/TSK | Authors: | Sundd, M, Pletneva, E.V, Fulton, D.B, Andreotti, A.H. | Deposit date: | 2005-10-27 | Release date: | 2006-02-07 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Molecular Details of Itk Activation by Prolyl Isomerization and Phospholigand Binding: The NMR Structure of the Itk SH2 Domain Bound to a Phosphopeptide. J.Mol.Biol., 357, 2006
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2EU0
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![BU of 2eu0 by Molmil](/molmil-images/mine/2eu0) | The NMR ensemble structure of the Itk SH2 domain bound to a phosphopeptide | Descriptor: | Lymphocyte cytosolic protein 2 phosphopeptide fragment, Tyrosine-protein kinase ITK/TSK | Authors: | Sundd, M, Pletneva, E.V, Fulton, D.B, Andreotti, A.H. | Deposit date: | 2005-10-27 | Release date: | 2006-02-07 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Molecular Details of Itk Activation by Prolyl Isomerization and Phospholigand Binding: The NMR Structure of the Itk SH2 Domain Bound to a Phosphopeptide. J.Mol.Biol., 357, 2006
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6WPE
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![BU of 6wpe by Molmil](/molmil-images/mine/6wpe) | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-04-27 | Release date: | 2021-03-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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1BID
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1AOB
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![BU of 1aob by Molmil](/molmil-images/mine/1aob) | E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DDURD | Descriptor: | 2'-5'DIDEOXYURIDINE, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1997-06-30 | Release date: | 1998-07-01 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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