2V0Y
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![BU of 2v0y by Molmil](/molmil-images/mine/2v0y) | Crystal structure of apo C298S tryptophanase from E.coli | Descriptor: | CHLORIDE ION, MAGNESIUM ION, TRYPTOPHANASE | Authors: | Kogan, A, Gdalevsky, G.Y, Cohen-Luria, R, Goldgur, Y, Parola, A.H, Almog, O. | Deposit date: | 2007-05-21 | Release date: | 2008-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Changes and Loose Packing Promote E. Coli Tryptophanase Cold Lability. Bmc Struct.Biol., 9, 2009
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3F6J
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![BU of 3f6j by Molmil](/molmil-images/mine/3f6j) | F17a-G lectin domain with bound GlcNAc(beta1-3)Gal | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, F17a-G | Authors: | Buts, L, de Boer, A, Olsson, J.D.M, Jonckheere, W, De Kerpel, M, De Genst, E, Guerardel, Y, Willaert, R, Wyns, L, Wuhrer, M, Oscarson, S, De Greve, H, Bouckaert, J. | Deposit date: | 2008-11-06 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Sampling of Glycan Interaction Profiles Reveals Mucosal Receptors for Fimbrial Adhesins of Enterotoxigenic Escherichia coli Biology, 2, 2013
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1DJ2
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![BU of 1dj2 by Molmil](/molmil-images/mine/1dj2) | STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE | Authors: | Prade, L, Cowan-Jacob, S.W, Chemla, P, Potter, S, Ward, E, Fonne-Pfister, R. | Deposit date: | 1999-12-01 | Release date: | 2000-03-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana. J.Mol.Biol., 296, 2000
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7KZG
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![BU of 7kzg by Molmil](/molmil-images/mine/7kzg) | Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | Deposit date: | 2020-12-10 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4. J.Mol.Biol., 433, 2021
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1KR7
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![BU of 1kr7 by Molmil](/molmil-images/mine/1kr7) | Crystal structure of the nerve tissue mini-hemoglobin from the nemertean worm Cerebratulus lacteus | Descriptor: | ACETATE ION, Neural globin, OXYGEN MOLECULE, ... | Authors: | Pesce, A, Nardini, M, Dewilde, S, Geuens, E, Yamauchi, k, Ascenzi, P, Riggs, A.F, Moens, L, Bolognesi, M. | Deposit date: | 2002-01-09 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The 109 residue nerve tissue minihemoglobin from Cerebratulus lacteus highlights striking structural plasticity of the alpha-helical globin fold Structure, 10, 2002
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1UZV
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![BU of 1uzv by Molmil](/molmil-images/mine/1uzv) | High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex | Descriptor: | CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ... | Authors: | Mitchell, E, Sabin, C.D, Snajdrova, L, Budova, M, Perret, S, Gautier, C, Gilboa-Garber, N, Koca, J, Wimmerova, M, Imberty, A. | Deposit date: | 2004-03-17 | Release date: | 2004-12-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin Pa-Iil: 1.0 A Resolution Crystal Structure of the Complex Combined with Thermodynamics and Computational Chemistry Approaches. Proteins, 58, 2005
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7KZ1
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![BU of 7kz1 by Molmil](/molmil-images/mine/7kz1) | Human MBD4 glycosylase domain bound to DNA containing an abasic site | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), ... | Authors: | Pidugu, L.S, Bright, H, Pozharski, E, Drohat, A.C. | Deposit date: | 2020-12-09 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4. J.Mol.Biol., 433, 2021
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3C44
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![BU of 3c44 by Molmil](/molmil-images/mine/3c44) | Crystal structure of HIV-1 subtype F DIS extended duplex RNA bound to paromomycin | Descriptor: | CHLORIDE ION, HIV-1 subtype F genomic RNA, PAROMOMYCIN, ... | Authors: | Freisz, S, Ennifar, E, Dumas, P. | Deposit date: | 2008-01-29 | Release date: | 2008-05-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding of aminoglycoside antibiotics to the duplex form of the HIV-1 genomic RNA dimerization initiation site. Angew.Chem.Int.Ed.Engl., 47, 2008
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1DGD
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![BU of 1dgd by Molmil](/molmil-images/mine/1dgd) | |
2PGQ
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![BU of 2pgq by Molmil](/molmil-images/mine/2pgq) | Human thrombin mutant C191A-C220A in complex with the inhibitor PPACK | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ... | Authors: | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | Deposit date: | 2007-04-10 | Release date: | 2007-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery J.Biol.Chem., 282, 2007
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1PHO
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7JYM
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![BU of 7jym by Molmil](/molmil-images/mine/7jym) | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) IN COMPLEX WITH A TRICYCLIC SULFONE INVERSE AGONIST | Descriptor: | (3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one, Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | Authors: | Sack, J. | Deposit date: | 2020-08-31 | Release date: | 2020-11-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.051 Å) | Cite: | Novel Tricyclic Pyroglutamide Derivatives as Potent ROR gamma t Inverse Agonists Identified using a Virtual Screening Approach. Acs Med.Chem.Lett., 11, 2020
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2W5W
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![BU of 2w5w by Molmil](/molmil-images/mine/2w5w) | Structure of TAB5 alkaline phosphatase mutant His 135 Asp with Zn bound in the M3 site. | Descriptor: | ALKALINE PHOSPHATASE, ZINC ION | Authors: | Koutsioulis, D, Lyskowski, A, Maki, S, Guthrie, E, Feller, G, Bouriotis, V, Heikinheimo, P. | Deposit date: | 2008-12-15 | Release date: | 2009-11-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Coordination Sphere of the Third Metal Site is Essential to the Activity and Metal Selectivity of Alkaline Phosphatases. Protein Sci., 19, 2010
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7DFN
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![BU of 7dfn by Molmil](/molmil-images/mine/7dfn) | Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with alpha-L-arabinofuranosyl xylotetraose | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, SODIUM ION, ... | Authors: | Fujimoto, Z, Kishine, N, Kaneko, S. | Deposit date: | 2020-11-09 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86. Appl.Microbiol.Biotechnol., 105, 2021
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4IXM
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![BU of 4ixm by Molmil](/molmil-images/mine/4ixm) | Crystal structure of Zn(II)-bound YjiA GTPase from E. coli | Descriptor: | SULFATE ION, Uncharacterized GTP-binding protein YjiA, ZINC ION | Authors: | Jost, M, Ryan, K.S, Turo, K.E, Drennan, C.L. | Deposit date: | 2013-01-26 | Release date: | 2013-02-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Metal binding properties of Escherichia coli YjiA, a member of the metal homeostasis-associated COG0523 family of GTPases. Biochemistry, 52, 2013
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3BNQ
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2AX9
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![BU of 2ax9 by Molmil](/molmil-images/mine/2ax9) | Crystal Structure Of The Androgen Receptor Ligand Binding Domain In Complex With R-3 | Descriptor: | (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, Androgen receptor | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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6G24
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![BU of 6g24 by Molmil](/molmil-images/mine/6g24) | X-ray structure of NSD3-PWWP1 in complex with compound 3 | Descriptor: | 2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid, Histone-lysine N-methyltransferase NSD3 | Authors: | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2018-03-22 | Release date: | 2019-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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1LMP
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3NXY
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![BU of 3nxy by Molmil](/molmil-images/mine/3nxy) | Preferential Selection of Isomer Binding from Chiral Mixtures: Alernate Binding Modes Observed fro the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase | Descriptor: | 5-[(1E,3R)-2-(2-methoxyphenyl)-3-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cody, V. | Deposit date: | 2010-07-14 | Release date: | 2010-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase. Acta Crystallogr.,Sect.D, 66, 2010
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1LCW
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![BU of 1lcw by Molmil](/molmil-images/mine/1lcw) | streptavidin-homobiotin complex | Descriptor: | HOMOBIOTIN, Streptavidin | Authors: | Livnah, O, Pazy, Y, Bayer, E.A, Wilchek, M. | Deposit date: | 2002-04-07 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand exchange between proteins: exchange of biotin and biotin derivatives between avidin and streptavidin J.Biol.Chem., 277, 2002
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2AX8
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![BU of 2ax8 by Molmil](/molmil-images/mine/2ax8) | Crystal Structure Of The Androgen Receptor Ligand Binding Domain W741L Mutant In Complex With S-1 | Descriptor: | Androgen receptor, S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | Authors: | Bohl, C.E, Miller, D.D, Chen, J, Bell, C.E, Dalton, J.T. | Deposit date: | 2005-09-03 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Accommodation of Nonsteroidal Ligands in the Androgen Receptor J.Biol.Chem., 280, 2005
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4KG2
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![BU of 4kg2 by Molmil](/molmil-images/mine/4kg2) | Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Cefotaxime | Descriptor: | Beta-lactamase, CEFOTAXIME, C3' cleaved, ... | Authors: | Docter, B.E, Baggett, V.L, Powers, R.A, Wallar, B.J. | Deposit date: | 2013-04-28 | Release date: | 2014-10-29 | Last modified: | 2018-09-19 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Complexed structures of AmpC beta-lactamase To be Published
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5FEE
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![BU of 5fee by Molmil](/molmil-images/mine/5fee) | EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | Descriptor: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | Authors: | DiDonato, M, Spraggon, G. | Deposit date: | 2015-12-16 | Release date: | 2016-07-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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3UQS
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![BU of 3uqs by Molmil](/molmil-images/mine/3uqs) | |