3P1I
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![BU of 3p1i by Molmil](/molmil-images/mine/3p1i) | Ligand binding domain of human ephrin type-B receptor 3 | Descriptor: | CHLORIDE ION, Ephrin type-B receptor 3, SULFATE ION | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-30 | Release date: | 2011-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ligand Binding Domain of Human Ephb3 To be Published
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8AFR
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![BU of 8afr by Molmil](/molmil-images/mine/8afr) | Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide | Descriptor: | 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1 | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2022-07-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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1WGI
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![BU of 1wgi by Molmil](/molmil-images/mine/1wgi) | |
1WGJ
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![BU of 1wgj by Molmil](/molmil-images/mine/1wgj) | |
1RZC
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![BU of 1rzc by Molmil](/molmil-images/mine/1rzc) | X-RAY ANALYSIS OF METAL SUBSTITUTED HUMAN CARBONIC ANHYDRASE II DERIVATIVES | Descriptor: | CARBONIC ANHYDRASE II, COPPER (II) ION, OXYGEN MOLECULE | Authors: | Hakansson, K, Wehnert, A, Liljas, A. | Deposit date: | 1993-05-25 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray analysis of metal-substituted human carbonic anhydrase II derivatives. Acta Crystallogr.,Sect.D, 50, 1994
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3P9T
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![BU of 3p9t by Molmil](/molmil-images/mine/3p9t) | SmeT-Triclosan complex | Descriptor: | Repressor, SULFATE ION, TRICLOSAN | Authors: | Hernandez, A, Ruiz, F.M, Romero, A, Martinez, J.L. | Deposit date: | 2010-10-18 | Release date: | 2011-08-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The Binding of Triclosan to SmeT, the Repressor of the Multidrug Efflux Pump SmeDEF, Induces Antibiotic Resistance in Stenotrophomonas maltophilia. Plos Pathog., 7, 2011
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3P9Z
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![BU of 3p9z by Molmil](/molmil-images/mine/3p9z) | Crystal structure of uroporphyrinogen-III synthetase from Helicobacter pylori 26695 | Descriptor: | MALONATE ION, Uroporphyrinogen III cosynthase (HemD) | Authors: | Nocek, B, Stein, A, Chhor, G, Fenske, R.J, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-10-18 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of uroporphyrinogen-III synthetase from Helicobacter pylori 26695 To be Published
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2V1D
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![BU of 2v1d by Molmil](/molmil-images/mine/2v1d) | Structural basis of LSD1-CoREST selectivity in histone H3 recognition | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3.1T, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Forneris, F, Binda, C, Adamo, A, Battaglioli, E, Mattevi, A. | Deposit date: | 2007-05-23 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of Lsd1-Corest Selectivity in Histone H3 Recognition. J.Biol.Chem., 282, 2007
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2V4U
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![BU of 2v4u by Molmil](/molmil-images/mine/2v4u) | Human CTP synthetase 2 - glutaminase domain in complex with 5-OXO-L- NORLEUCINE | Descriptor: | CTP SYNTHASE 2 | Authors: | Welin, M, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Schueler, H, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wisniewska, M, Weigelt, J, Wikstrom, M, Nordlund, P. | Deposit date: | 2008-09-29 | Release date: | 2008-10-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human Ctp Synthetase 2 - Glutaminase Domain in Complex with 5-Oxo-L-Norleucine To be Published
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2ZYK
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![BU of 2zyk by Molmil](/molmil-images/mine/2zyk) | Crystal structure of cyclo/maltodextrin-binding protein complexed with gamma-cyclodextrin | Descriptor: | Cyclooctakis-(1-4)-(alpha-D-glucopyranose), Solute-binding protein | Authors: | Tonozuka, T, Sogawa, A, Yamada, M, Matsumoto, N, Yoshida, H, Kamitori, S, Ichikawa, K, Mizuno, M, Nishikawa, A, Sakano, Y. | Deposit date: | 2009-01-26 | Release date: | 2009-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for cyclodextrin recognition by Thermoactinomyces vulgaris cyclo/maltodextrin-binding protein Febs J., 274, 2007
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3R02
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![BU of 3r02 by Molmil](/molmil-images/mine/3r02) | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors | Descriptor: | 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Xiang, Y, Hirth, B, Asmussen, G, Biemann, H.-P, Good, A, Fitzgerald, M, Gladysheva, T, Jancsics, K, Liu, J, Metz, M, Papoulis, A, Skerlj, R, Stepp, D.J, Wei, R.R. | Deposit date: | 2011-03-07 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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4L7E
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![BU of 4l7e by Molmil](/molmil-images/mine/4l7e) | Three dimensional structure of mutant D78A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HD domain-containing protein 2, ... | Authors: | Kuzin, A, Su, M, Yakunin, A, Beloglazova, N, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Brown, G, Flick, R, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-06-13 | Release date: | 2013-07-24 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.229 Å) | Cite: | Northeast Structural Genomics Consortium Target HR6723 To be Published
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6VCB
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![BU of 6vcb by Molmil](/molmil-images/mine/6vcb) | Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator | Descriptor: | 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ... | Authors: | Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K. | Deposit date: | 2019-12-20 | Release date: | 2020-07-22 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into probe-dependent positive allosterism of the GLP-1 receptor. Nat.Chem.Biol., 16, 2020
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4L9E
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![BU of 4l9e by Molmil](/molmil-images/mine/4l9e) | Structure of PpsR Q-PAS1 from Rb. sphaeroides | Descriptor: | Transcriptional regulator, PpsR | Authors: | Heintz, U, Meinhart, A, Schlichting, I, Winkler, A. | Deposit date: | 2013-06-18 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multi-PAS domain-mediated protein oligomerization of PpsR from Rhodobacter sphaeroides. Acta Crystallogr.,Sect.D, 70, 2014
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3PAM
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![BU of 3pam by Molmil](/molmil-images/mine/3pam) | Crystal structure of a domain of transmembrane protein of ABC-type oligopeptide transport system from Bartonella henselae str. Houston-1 | Descriptor: | ETHANOL, Transmembrane protein | Authors: | Nocek, B, Stein, A, Mack, J, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-10-19 | Release date: | 2010-11-17 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal structure of a domain of transmembrane protein of ABC-type oligopeptide transport system from Bartonella henselae str. Houston-1" TO BE PUBLISHED
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6Y1S
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![BU of 6y1s by Molmil](/molmil-images/mine/6y1s) | |
6VDP
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![BU of 6vdp by Molmil](/molmil-images/mine/6vdp) | Crystal structure of SfmD truncated variant | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | Authors: | Shin, I, Liu, A. | Deposit date: | 2019-12-27 | Release date: | 2021-03-10 | Last modified: | 2021-07-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study. Chem Sci, 12, 2021
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6VDZ
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![BU of 6vdz by Molmil](/molmil-images/mine/6vdz) | Crystal structure of reduced SfmD by soaking with sodium hydrosulfite | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | Authors: | Shin, I, Liu, A. | Deposit date: | 2019-12-27 | Release date: | 2021-03-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study. Chem Sci, 12, 2021
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6VE0
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![BU of 6ve0 by Molmil](/molmil-images/mine/6ve0) | Crystal structure of reduced SfmD by soaking with sodium hydrosulfite | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | Authors: | Shin, I, Liu, A. | Deposit date: | 2019-12-27 | Release date: | 2021-03-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study. Chem Sci, 12, 2021
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6VDQ
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![BU of 6vdq by Molmil](/molmil-images/mine/6vdq) | Crystal structure of SfmD | Descriptor: | 3-methyl-L-tyrosine peroxygenase, HEME C | Authors: | Shin, I, Liu, A. | Deposit date: | 2019-12-27 | Release date: | 2021-03-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A novel catalytic heme cofactor in SfmD with a single thioether bond and a bis -His ligand set revealed by a de novo crystal structural and spectroscopic study. Chem Sci, 12, 2021
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4L6X
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![BU of 4l6x by Molmil](/molmil-images/mine/4l6x) | |
7KGC
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![BU of 7kgc by Molmil](/molmil-images/mine/7kgc) | Crystal structure of a perchloric acid-soluble protein (PSP) from Trichomonas vaginalis at 1.95 A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative translation initiation inhibitor | Authors: | Diaz-Vilchis, A, Rudino-Pinera, E, Alvarez-Sanchez, M.E, Arreola, R. | Deposit date: | 2020-10-16 | Release date: | 2021-10-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Putative New Role of Tv-PSP1 Recognizes IRE and ERE Hairpin Structures from Trichomonas vaginalis. Pathogens, 12, 2023
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8AVD
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![BU of 8avd by Molmil](/molmil-images/mine/8avd) | Cryo-EM structure for a 3:3 complex between mouse leptin and the mouse LEP-R ectodomain (local refinement) | Descriptor: | Leptin, Leptin receptor, NICKEL (II) ION | Authors: | Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A. | Deposit date: | 2022-08-26 | Release date: | 2023-04-05 | Last modified: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (4.42 Å) | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol., 30, 2023
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8AVO
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![BU of 8avo by Molmil](/molmil-images/mine/8avo) | Human leptin in complex with the human LEP-R ectodomain fused to a C-terminal trimeric isoleucine GCN4 zipper (open 3:3 model). | Descriptor: | Leptin, Leptin receptor | Authors: | Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A. | Deposit date: | 2022-08-26 | Release date: | 2023-04-05 | Last modified: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (6.84 Å) | Cite: | Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol., 30, 2023
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4L52
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![BU of 4l52 by Molmil](/molmil-images/mine/4l52) | Crystal Structure of 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethan-1-one bound to TAK1-TAB1 | Descriptor: | 1-(4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)furo[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}piperidin-1-yl)ethanone, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera | Authors: | Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. Bioorg.Med.Chem.Lett., 23, 2013
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