4H1W
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![BU of 4h1w by Molmil](/molmil-images/mine/4h1w) | E1 structure of the (SR) Ca2+-ATPase in complex with Sarcolipin | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Winther, A.-M.L, Karlsen, J, Moller, J.V, Hansen, J.B, Buch-Pedersen, M.J, Nissen, P. | Deposit date: | 2012-09-11 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The sarcolipin-bound calcium pump stabilizes calcium sites exposed to the cytoplasm. Nature, 495, 2013
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7AB1
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![BU of 7ab1 by Molmil](/molmil-images/mine/7ab1) | Crystal structure of MerTK kinase domain in complex with Gilteritinib | Descriptor: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Overman, R.C, Rawlins, P.B, Truman, C, Underwood, E, Warwicker, J, Winter-Holt, J. | Deposit date: | 2020-09-05 | Release date: | 2020-10-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A-loop interactions in Mer tyrosine kinase give rise to inhibitors with two-step mechanism and long residence time of binding. Biochem.J., 477, 2020
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1K4B
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![BU of 1k4b by Molmil](/molmil-images/mine/1k4b) | STRUCTURE OF AGUU RNA TETRALOOP, NMR, 20 STRUCTURES | Descriptor: | 5'-R(*GP*GP*UP*UP*CP*AP*GP*UP*UP*GP*AP*AP*CP*C)-3' | Authors: | Wu, H, Yang, P.K, Butcher, S.E, Kang, S, Chanfreau, G, Feigon, J. | Deposit date: | 2001-10-07 | Release date: | 2001-12-19 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A novel family of RNA tetraloop structure forms the recognition site for Saccharomyces cerevisiae RNase III. EMBO J., 20, 2001
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6ZUM
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![BU of 6zum by Molmil](/molmil-images/mine/6zum) | Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc | Descriptor: | ACETATE ION, Fucose-binding lectin protein, SODIUM ION, ... | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | Deposit date: | 2020-07-23 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des., 2020
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5NW1
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![BU of 5nw1 by Molmil](/molmil-images/mine/5nw1) | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-(cyclobutanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 18) | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-(cyclobutylcarbonylamino)-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Gadd, M.S, Soares, P, Ciulli, A. | Deposit date: | 2017-05-04 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (VH298). J. Med. Chem., 61, 2018
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3I3H
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![BU of 3i3h by Molmil](/molmil-images/mine/3i3h) | |
1ES9
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![BU of 1es9 by Molmil](/molmil-images/mine/1es9) | X-RAY CRYSTAL STRUCTURE OF R22K MUTANT OF THE MAMMALIAN BRAIN PLATELET-ACTIVATING FACTOR ACETYLHYDROLASES (PAF-AH) | Descriptor: | PLATELET-ACTIVATING FACTOR ACETYLHYDROLASE IB GAMMA SUBUNIT | Authors: | McMullen, T.W.P, Li, J, Sheffield, P.J, Aoki, J, Martin, T.W, Arai, H, Inoue, K, Derewenda, Z.S. | Deposit date: | 2000-04-07 | Release date: | 2000-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The functional implications of the dimerization of the catalytic subunits of the mammalian brain platelet-activating factor acetylhydrolase (Ib). Protein Eng., 13, 2000
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2G58
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![BU of 2g58 by Molmil](/molmil-images/mine/2g58) | Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution | Descriptor: | (PHQ)IARS, Phospholipase A2 VRV-PL-VIIIa, SULFATE ION | Authors: | Prem Kumar, R, Singh, N, Somvanshi, R.K, Ethayathulla, A.S, Dey, S, Sharma, S, Kaur, P, Perbandt, M, Betzel, C, Singh, T.P. | Deposit date: | 2006-02-22 | Release date: | 2006-03-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal structure of a complex of phospholipase A2 with a designed peptide inhibitor Dehydro-Ile-Ala-Arg-Ser at 0.98 A resolution To be Published
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5JSK
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![BU of 5jsk by Molmil](/molmil-images/mine/5jsk) | The 3D structure of [NiFeSe] hydrogenase from Desulfovibrio vulgaris Hildenborough in the reduced state at 0.95 Angstrom resolution | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE (II) ION, GLYCEROL, ... | Authors: | Marques, M.C, Pereira, I.A.C, Matias, P.M. | Deposit date: | 2016-05-08 | Release date: | 2017-03-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis. Nat. Chem. Biol., 13, 2017
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7LPN
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2G6V
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![BU of 2g6v by Molmil](/molmil-images/mine/2g6v) | The crystal structure of ribD from Escherichia coli | Descriptor: | Riboflavin biosynthesis protein ribD | Authors: | Stenmark, P, Moche, M, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE) | Deposit date: | 2006-02-25 | Release date: | 2007-02-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Crystal Structure of the Bifunctional Deaminase/Reductase RibD of the Riboflavin Biosynthetic Pathway in Escherichia coli: Implications for the Reductive Mechanism. J.Mol.Biol., 373, 2007
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5ODW
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![BU of 5odw by Molmil](/molmil-images/mine/5odw) | Structure of the FpvAI-pyocin S2 complex | Descriptor: | Ferripyoverdine receptor, Pyocin-S2, SULFATE ION | Authors: | White, P, Joshi, A, Kleanthous, C. | Deposit date: | 2017-07-06 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Exploitation of an iron transporter for bacterial protein antibiotic import. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7BHU
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![BU of 7bhu by Molmil](/molmil-images/mine/7bhu) | Crystal structure of MAT2a with elaborated fragment 26 bound in the allosteric site | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BXW
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7BHW
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![BU of 7bhw by Molmil](/molmil-images/mine/7bhw) | Crystal structure of MAT2a bound to allosteric inhibitor (compound 29) | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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1PS9
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![BU of 1ps9 by Molmil](/molmil-images/mine/1ps9) | The Crystal Structure and Reaction Mechanism of E. coli 2,4-Dienoyl CoA Reductase | Descriptor: | 2,4-dienoyl-CoA reductase, 5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A, CHLORIDE ION, ... | Authors: | Hubbard, P.A, Liang, X, Schulz, H, Kim, J.J. | Deposit date: | 2003-06-20 | Release date: | 2003-09-30 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure and reaction mechanism of Escherichia coli 2,4-dienoyl-CoA reductase J.Biol.Chem., 278, 2003
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7W1D
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![BU of 7w1d by Molmil](/molmil-images/mine/7w1d) | Crystal structure of Klebsiella pneumoniae K1 capsule-specific polysaccharide lyase in a C2 crystal form | Descriptor: | CARBONATE ION, CITRIC ACID, K1 LYASE | Authors: | Tu, I.F, Ko, T.P, Huang, K.F, Wu, S.H. | Deposit date: | 2021-11-19 | Release date: | 2022-05-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural and biological insights into Klebsiella pneumoniae surface polysaccharide degradation by a bacteriophage K1 lyase: implications for clinical use. J.Biomed.Sci., 29, 2022
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3JQM
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![BU of 3jqm by Molmil](/molmil-images/mine/3jqm) | Binding of 5'-GTP to molybdenum cofactor biosynthesis protein MoaC from Thermus theromophilus HB8 | Descriptor: | 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanaujia, S.P, Jeyakanthan, J, Nakagawa, N, Sekar, K, Shinkai, A, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2009-09-07 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of apo and GTP-bound molybdenum cofactor biosynthesis protein MoaC from Thermus thermophilus HB8 Acta Crystallogr.,Sect.D, 66, 2010
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7BHR
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![BU of 7bhr by Molmil](/molmil-images/mine/7bhr) | Crystal structure of MAT2a with triazinone fragment 1 bound in the allosteric site | Descriptor: | 4-(dimethylamino)-6-ethoxy-1~{H}-1,3,5-triazin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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4N25
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![BU of 4n25 by Molmil](/molmil-images/mine/4n25) | Crystal structure of Protein Arginine Deiminase 2 (250 uM Ca2+) | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-04 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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4HFB
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![BU of 4hfb by Molmil](/molmil-images/mine/4hfb) | The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant (Apo) | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Sauguet, L, Howard, R.J, Malherbe, L, Lee, U.S, Corringer, P.J, Harris, R.A, Delarue, M. | Deposit date: | 2012-10-05 | Release date: | 2013-04-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for potentiation by alcohols and anaesthetics in a ligand-gated ion channel. Nat Commun, 4, 2013
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7BHV
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![BU of 7bhv by Molmil](/molmil-images/mine/7bhv) | Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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4N2N
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![BU of 4n2n by Molmil](/molmil-images/mine/4n2n) | Crystal structure of Protein Arginine Deiminase 2 (E354A, 10 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
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7BHT
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![BU of 7bht by Molmil](/molmil-images/mine/7bht) | Crystal structure of MAT2a with quinazolinone fragment 5 bound in the allosteric site | Descriptor: | 7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.052 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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1Z25
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![BU of 1z25 by Molmil](/molmil-images/mine/1z25) | Structure of P.furiosus Argonaute with bound Mn2+ | Descriptor: | Argonaute, MANGANESE (II) ION | Authors: | Rivas, F.V, Tolia, N.H, Song, J.J, Aragon, J.P, Liu, J, Hannon, G.J, Joshua-Tor, L. | Deposit date: | 2005-03-07 | Release date: | 2005-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Purified Argonaute2 and an siRNA form recombinant human RISC. Nat.Struct.Mol.Biol., 12, 2005
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