5NTC
 
 | | Crystal structure of mouse CARM1 in complex with inhibitor SA0678 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Cura, V, Marechal, N, Mailliot, J, Troffer-Charlier, N, Hassenboehler, P, Wurtz, J.M, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2017-04-27 | | Release date: | 2018-05-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of mouse CARM1 in complex with inhibitor SA0678
To Be Published
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5ZJN
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5OF1
 | | The structural versatility of TasA in B. subtilis biofilm formation | | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, Spore coat-associated protein N | | Authors: | Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H. | | Deposit date: | 2017-07-10 | | Release date: | 2018-03-21 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6GIN
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with an Quinazolinone based ALK2 inhibitor with a 4-morpholinophenyl solvent accessible group. | | Descriptor: | 1,2-ETHANEDIOL, 3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one, Activin receptor type-1, ... | | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Kopec, J, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-05-14 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
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4CNF
 | | Crystal structure of Sulfolobus acidocaldarius TrmJ | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Van Laer, B, Somme, J, Roovers, M, Steyaert, J, Droogmans, L, Versees, W. | | Deposit date: | 2014-01-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates.
RNA, 20, 2014
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1FCV
 | | CRYSTAL STRUCTURE OF BEE VENOM HYALURONIDASE IN COMPLEX WITH HYALURONIC ACID TETRAMER | | Descriptor: | HYALURONOGLUCOSAMINIDASE, alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranuronic acid | | Authors: | Markovic-Housley, Z, Miglierini, G, Soldatova, L, Rizkallah, P.J, Mueller, U, Schirmer, T. | | Deposit date: | 2000-07-19 | | Release date: | 2001-10-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of hyaluronidase, a major allergen of bee venom.
Structure Fold.Des., 8, 2000
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1PKZ
 | | Crystal structure of human glutathione transferase (GST) A1-1 | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Glutathione S-transferase A1 | | Authors: | Grahn, E, Jakobsson, E, Gustafsson, A, Grehn, L, Olin, B, Wahlberg, M, Madsen, D, Kleywegt, G.J, Mannervik, B. | | Deposit date: | 2003-06-06 | | Release date: | 2004-06-22 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix.
Acta Crystallogr.,Sect.D, 62, 2006
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1FFU
 | | CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHICH LACKS THE MO-PYRANOPTERIN MOIETY OF THE MOLYBDENUM COFACTOR | | Descriptor: | CUTL, MOLYBDOPROTEIN OF CARBON MONOXIDE DEHYDROGENASE, CUTM, ... | | Authors: | Haenzelmann, P, Dobbek, H, Gremer, L, Huber, R, Meyer, O. | | Deposit date: | 2000-07-26 | | Release date: | 2000-09-15 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | The effect of intracellular molybdenum in Hydrogenophaga pseudoflava on the crystallographic structure of the seleno-molybdo-iron-sulfur flavoenzyme carbon monoxide dehydrogenase.
J.Mol.Biol., 301, 2000
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5OFN
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1PM9
 | | CRYSTAL STRUCTURE OF HUMAN MNSOD H30N, Y166F MUTANT | | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Fan, L, Tainer, J.A. | | Deposit date: | 2003-06-10 | | Release date: | 2003-12-16 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Amino acid substitution at the dimeric interface of human manganese superoxide dismutase
J.Biol.Chem., 279, 2004
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8X7Z
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4CK9
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFT) | | Descriptor: | (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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8DCX
 | | PI 3-kinase alpha with nanobody 3-159 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6GLT
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4AG6
 | | Structure of VirB4 of Thermoanaerobacter pseudethanolicus | | Descriptor: | SULFATE ION, TYPE IV SECRETORY PATHWAY VIRB4 COMPONENTS-LIKE PROTEIN | | Authors: | Wallden, K, Williams, R, Yan, J, Lian, P.W, Wang, L, Thalassinos, K, Orlova, E.V, Waksman, G. | | Deposit date: | 2012-01-24 | | Release date: | 2012-07-04 | | Last modified: | 2012-07-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of the Virb4 ATPase, Alone and Bound to the Core Complex of a Type Iv Secretion System.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6H2O
 | | APO structure of Phenylalanine ammonia-lyase from Petroselinum crispum | | Descriptor: | Phenylalanine ammonia-lyase 1 | | Authors: | Molnar, B, Bata, Z, Leveles, I, Poppe, L, Vertessy, G.B. | | Deposit date: | 2018-07-14 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
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6H34
 | | The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | | Descriptor: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | Deposit date: | 2018-07-17 | | Release date: | 2018-12-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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1PQW
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8WNS
 | | Cryo EM map of SLC7A10 in the apo state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amino acid transporter heavy chain SLC3A2, Asc-type amino acid transporter 1 | | Authors: | Li, Y.N, Guo, Y.Y, Dai, L, Yan, R.H. | | Deposit date: | 2023-10-06 | | Release date: | 2024-05-15 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Cryo-EM structure of the human Asc-1 transporter complex.
Nat Commun, 15, 2024
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3UO7
 | | Crystal structure of Human Thymine DNA Glycosylase Bound to Substrate 5-carboxylcytosine | | Descriptor: | 5'-D(*CP*AP*GP*CP*TP*CP*TP*GP*TP*AP*CP*AP*TP*GP*AP*GP*CP*AP*GP*TP*GP*GP*A)-3', 5'-D(*CP*CP*AP*CP*TP*GP*CP*TP*CP*AP*(1CC)P*GP*TP*AP*CP*AP*GP*AP*GP*CP*TP*GP*T)-3', G/T mismatch-specific thymine DNA glycosylase | | Authors: | Zhang, L, He, C. | | Deposit date: | 2011-11-16 | | Release date: | 2012-02-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Thymine DNA glycosylase specifically recognizes 5-carboxylcytosine-modified DNA.
Nat.Chem.Biol., 8, 2012
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1FQ2
 | | CRYSTAL STRUCTURE ANALYSIS OF THE POTASSIUM FORM OF B-DNA DODECAMER CGCGAATTCGCG | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, SPERMINE | | Authors: | Williams, L.D, Sines, C.C, McFail-Isom, L, Howerton, S.B, VanDerveer, D. | | Deposit date: | 2000-09-01 | | Release date: | 2000-11-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Cations Mediate B-DNA Conformational Heterogeneity
J.Am.Chem.Soc., 122, 2000
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8RHJ
 | | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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8WNY
 | | Cryo EM map of SLC7A10-SLC3A2 complex in the D-serine bound state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Amino acid transporter heavy chain SLC3A2, Asc-type amino acid transporter 1, ... | | Authors: | Li, Y.N, Guo, Y.Y, Dai, L, Yan, R.H. | | Deposit date: | 2023-10-06 | | Release date: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the human Asc-1 transporter complex.
Nat Commun, 15, 2024
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8WMW
 | | The structure of PSI-11CAC at the stationary growth phase | | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhang, S.M, Si, L, Li, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Growth phase-dependent reorganization of cryptophyte photosystem I antennae.
Commun Biol, 7, 2024
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4ANB
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-16 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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