2R0H
 
 | | Fungal lectin CGL3 in complex with chitotriose (chitotetraose) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CGL3 lectin | | Authors: | Waelti, M.A, Walser, P.J, Thore, S, Gruenler, A, Ban, N, Kuenzler, M, Aebi, M. | | Deposit date: | 2007-08-20 | | Release date: | 2008-05-20 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for Chitotetraose Coordination by CGL3, a Novel Galectin-Related Protein from Coprinopsis cinerea
J.Mol.Biol., 379, 2008
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1AGU
 | | THE SOLUTION NMR STRUCTURE OF THE C10R ADDUCT OF BENZO[A]PYRENE-DIOL-EPOXIDE AT THE N6 POSITION OF ADENINE OF AN 11 BASE-PAIR OLIGONUCLEOTIDE SEQUENCE CODING FOR AMINO ACIDS 60-62 OF THE PRODUCT OF THE N-RAS PROTOONCOGENE, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*CP*EP*AP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | | Authors: | Zegar, I.S, Stone, M.P. | | Deposit date: | 1997-03-25 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Adduction of the human N-ras codon 61 sequence with (-)-(7S,8R,9R,10S)-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo[a] pyrene: structural refinement of the intercalated SRSR(61,2) (-)-(7S,8R,9S,1 0R)-N6-[10-(7,8,9,10- tetrahydrobenzo[a]pyrenyl)]-2'-deoxyadenosyl adduct from 1H NMR
Biochemistry, 35, 1996
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6WS1
 | | Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(3-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)propyl)amino)butanoic acid and AdoHcy (SAH) | | Descriptor: | 1,2-ETHANEDIOL, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine, CADMIUM ION, ... | | Authors: | Harijan, R.K, Mahmoodi, N, Bonanno, J.B, Almo, S.C, Schramm, V.L. | | Deposit date: | 2020-04-30 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Transition-State Analogues of PhenylethanolamineN-Methyltransferase.
J.Am.Chem.Soc., 142, 2020
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8Q3V
 | | Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex | | Descriptor: | MAGNESIUM ION, SODIUM ION, Tetrahydromethanopterin S-methyltransferase subunit A 1, ... | | Authors: | Aziz, I, Vonck, J, Ermler, U. | | Deposit date: | 2023-08-04 | | Release date: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | Structural and mechanistic basis of the central energy-converting methyltransferase complex of methanogenesis.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2XRO
 | | Crystal structure of TtgV in complex with its DNA operator | | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGV, OSMIUM ION, TTGV OPERATOR DNA | | Authors: | Lu, D, Fillet, S, Meng, C, Alguel, Y, Kloppsteck, P, Bergeron, J, Krell, T, Gallegos, M.-T, Ramos, J, Zhang, X. | | Deposit date: | 2010-09-17 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal Structure of Ttgv in Complex with its DNA Operator Reveals a General Model for Cooperative DNA Binding of Tetrameric Gene Regulators.
Genes Dev., 24, 2010
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1XCE
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8RMJ
 | | Drosophila Semaphorin 2b in complex with glycosaminoglycan mimic SOS | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Nourisanami, F, Sobol, M, Rozbesky, D. | | Deposit date: | 2024-01-08 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Molecular mechanisms of proteoglycan-mediated semaphorin signaling in axon guidance.
Proc.Natl.Acad.Sci.USA, 121, 2024
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1HK1
 | | HUMAN SERUM ALBUMIN COMPLEXED WITH THYROXINE (3,3',5,5'-TETRAIODO-L-THYRONINE) | | Descriptor: | 3,5,3',5'-TETRAIODO-L-THYRONINE, SERUM ALBUMIN | | Authors: | Petitpas, I, Petersen, C.E, Ha, C.E, Bhattacharya, A.A, Zunszain, P.A, Ghuman, J, Bhagavan, N.V, Curry, S. | | Deposit date: | 2003-03-05 | | Release date: | 2003-05-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia
Proc.Natl.Acad.Sci.USA, 100, 2003
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3T4P
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2VZ4
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2XI1
 | | Crystal structure of the HIV-1 Nef sequenced from a patient's sample | | Descriptor: | NEF | | Authors: | Yadav, G.P, Singh, P, Gupta, S, Tripathi, A.K, Tripathi, R.K, Ramachandran, R. | | Deposit date: | 2010-06-25 | | Release date: | 2011-08-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A Novel Dimer-Tetramer Transition Captured by the Crystal Structure of the HIV-1 Nef.
Plos One, 6, 2011
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7RYF
 | | A. baumannii Ribosome-TP-6076 complex: P-site tRNA 70S | | Descriptor: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
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7RYG
 | | A. baumannii Ribosome-TP-6076 complex: E-site tRNA 70S | | Descriptor: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.38 Å) | | Cite: | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
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7RY3
 | | Multidrug Efflux pump AdeJ with TP-6076 bound | | Descriptor: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2021-08-24 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
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7RYH
 | | A. baumannii Ribosome-TP-6076 complex: Empty 70S | | Descriptor: | (4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide, 16S Ribosomal RNA, 23S ribosomal RNA, ... | | Authors: | Morgan, C.E, Yu, E.W. | | Deposit date: | 2021-08-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | An Analysis of the Novel Fluorocycline TP-6076 Bound to Both the Ribosome and Multidrug Efflux Pump AdeJ from Acinetobacter baumannii.
Mbio, 13, 2022
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3BRE
 | | Crystal Structure of P.aeruginosa PA3702 | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Probable two-component response regulator | | Authors: | De, N, Pirruccello, M, Krasteva, P.V, Bae, N, Raghavan, R.V, Sondermann, H. | | Deposit date: | 2007-12-21 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Phosphorylation-independent regulation of the diguanylate cyclase WspR.
Plos Biol., 6, 2008
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7NZW
 | | Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | | Descriptor: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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7NZS
 | | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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7NZX
 | | Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | | Descriptor: | 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2021-03-24 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Crystal structure of chimeric carbonic anhydrase VA
To Be Published
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7QGE
 | | H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6,7,8-TETRABROMOBENZOTRIAZOLE (TBBt) AT PH 8.5 | | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Winiewska-Szajewska, M, Czapinska, H, Kaus-Drobek, M, Piasecka, A, Mieczkowska, K, Dadlez, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2021-12-08 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Competition between electrostatic interactions and halogen bonding in the protein-ligand system: structural and thermodynamic studies of 5,6-dibromobenzotriazole-hCK2 alpha complexes.
Sci Rep, 12, 2022
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5YZE
 | | Crystal structure of the [Co2+-(chromomycin A3)2]-d(CCG)3 complex | | Descriptor: | (1S)-5-deoxy-1-O-methyl-1-C-[(2R,3S)-3,5,7,10-tetrahydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-D-xylulose, 2,6-dideoxy-4-O-methyl-alpha-D-galactopyranose-(1-3)-(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate, 3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol-(1-3)-(2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol, ... | | Authors: | Hou, M.H, Chen, Y.W, Wu, P.C, Satange, R.B. | | Deposit date: | 2017-12-14 | | Release date: | 2018-10-17 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | CoII(Chromomycin)2 Complex Induces a Conformational Change of CCG Repeats from i-Motif to Base-Extruded DNA Duplex
Int J Mol Sci, 19, 2018
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7P4G
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6NXG
 | | Crystal structure of glycylpeptide N-tetradecanoyltransferase from Plasmodium vivax in complex with inhibitor 303a | | Descriptor: | 1,2-ETHANEDIOL, 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one, BETA-MERCAPTOETHANOL, ... | | Authors: | Staker, B.L, Mayclin, S, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2019-02-08 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of Selective Inhibitors ofPlasmodiumN-Myristoyltransferase by High-Throughput Screening.
J.Med.Chem., 63, 2020
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3D8N
 | | Uroporphyrinogen III Synthase-Uroporphyringen III Complex | | Descriptor: | 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid, Uroporphyrinogen-III synthase | | Authors: | Schubert, H.L. | | Deposit date: | 2008-05-23 | | Release date: | 2008-08-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and mechanistic implications of a uroporphyrinogen III synthase-product complex.
Biochemistry, 47, 2008
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1R9N
 | | Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, ... | | Authors: | Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.-C, Skene, R, Webb, D.R, Prasad, G.S. | | Deposit date: | 2003-10-30 | | Release date: | 2005-03-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
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