2KMW
 
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4GMT
 | | Crystal structure of heterosubtypic Fab S139/1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab S139/1 heavy chain, ... | | Authors: | Lee, P.S, Ekiert, D.C, Wilson, I.A. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Heterosubtypic antibody recognition of the influenza virus hemagglutinin receptor binding site enhanced by avidity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1JZG
 | | Pseudomonas aeruginosa Reduced Azurin (Cu1+) Ru(tpy)(phen)(His83) | | Descriptor: | (2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II), AZURIN, COPPER (I) ION, ... | | Authors: | Crane, B.R, Di Bilio, A.J, Winkler, J.R, Gray, H.B. | | Deposit date: | 2001-09-16 | | Release date: | 2001-10-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Electron tunneling in single crystals of Pseudomonas aeruginosa azurins.
J.Am.Chem.Soc., 123, 2001
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3O1D
 | | Structure-function study of Gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097. | | Descriptor: | (1R,3R,7E,17beta)-17-[(1S)-6,6,6-trifluoro-5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-(trifluoromethyl)hex-3-yn-1-yl]-9,10-secoestra-5,7-diene-1,3-diol, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Huet, T, Moras, D, Rochel, N. | | Deposit date: | 2010-07-21 | | Release date: | 2011-07-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4007 Å) | | Cite: | Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.
Medchemcomm, 2, 2011
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3RXM
 | | Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine | | Descriptor: | 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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2HAS
 | | Crystal structure of VDR LBD in complex with 2alpha-(1-propoxy) calcitriol | | Descriptor: | 2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3, Vitamin D3 receptor | | Authors: | Hourai, S, Rochel, N, Moras, D. | | Deposit date: | 2006-06-13 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Probing a Water Channel near the A-Ring of Receptor-Bound 1alpha,25-Dihydroxyvitamin D3 with Selected 2alpha-Substituted Analogues
J.Med.Chem., 49, 2006
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6KIU
 | | Cryo-EM structure of human MLL1-ubNCP complex (3.2 angstrom) | | Descriptor: | DNA (145-MER), GLUTAMINE, Histone H2A, ... | | Authors: | Huang, J, Xue, H, Yao, T. | | Deposit date: | 2019-07-20 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of nucleosome recognition and modification by MLL methyltransferases.
Nature, 573, 2019
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3RXW
 | | KPC-2 carbapenemase in complex with PSR3-226 | | Descriptor: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid, CITRIC ACID, Carbepenem-hydrolyzing beta-lactamase KPC | | Authors: | Ke, W, van den Akker, F. | | Deposit date: | 2011-05-10 | | Release date: | 2012-03-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structures of KPC-2 {beta}-lactamase in complex with 3-nitrophenyl boronic acid and the penam sulfone PSR-3-226.
Antimicrob.Agents Chemother., 56, 2012
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4G3S
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3S1S
 | | Characterization and crystal structure of the type IIG restriction endonuclease BpuSI | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, MANGANESE (II) ION, ... | | Authors: | Shen, B.W, Xu, D, Chan, S.-H, Zheng, Y, Zhu, Y, Xu, S.-Y, Stoddard, B.L. | | Deposit date: | 2011-05-16 | | Release date: | 2011-07-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Characterization and crystal structure of the type IIG restriction endonuclease RM.BpuSI.
Nucleic Acids Res., 39, 2011
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3RU3
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADPH and ATP. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, MAGNESIUM ION, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-04 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.605 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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3ABT
 | | Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine | | Descriptor: | Lysine-specific histone demethylase 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate | | Authors: | Mimasu, S, Umezawa, N, Sato, S, Higuchi, T, Umehara, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2009-12-21 | | Release date: | 2010-07-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structurally Designed trans-2-Phenylcyclopropylamine Derivatives Potently Inhibit Histone Demethylase LSD1/KDM1
Biochemistry, 49, 2010
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4IVA
 | | JAK2 kinase (JH1 domain) in complex with the inhibitor TRANS-4-[(8AS)-2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(8AH)-YL]CYCLOHEXANECARBONITRILE | | Descriptor: | Tyrosine-protein kinase JAK2, trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexanecarbonitrile | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-01-22 | | Release date: | 2013-05-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
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1TSL
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2BAG
 | | 3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine | | Descriptor: | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lamba, D, Bartolucci, C, Siotto, M, Racchi, M, Villetti, G, Delcanale, M. | | Deposit date: | 2005-10-14 | | Release date: | 2006-08-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Determinants of Torpedo californica Acetylcholinesterase Inhibition by the Novel and Orally Active Carbamate Based Anti-Alzheimer Drug Ganstigmine (CHF-2819)
J.Med.Chem., 49, 2006
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2GJK
 | | Structural and functional insights into the human Upf1 helicase core | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Regulator of nonsense transcripts 1 | | Authors: | Cheng, Z, Muhlrad, D, Parker, R, Song, H. | | Deposit date: | 2006-03-31 | | Release date: | 2007-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional insights into the human Upf1 helicase core
Embo J., 26, 2007
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3ACX
 | | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with BPH-673 | | Descriptor: | Dehydrosqualene synthase, N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine | | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | | Deposit date: | 2010-01-13 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase
Proc.Natl.Acad.Sci.USA, 107, 2010
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1JK3
 | | Crystal structure of human MMP-12 (Macrophage Elastase) at true atomic resolution | | Descriptor: | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, CALCIUM ION, MACROPHAGE METALLOELASTASE, ... | | Authors: | Lang, R, Kocourek, A, Braun, M, Tschesche, H, Huber, R, Bode, W, Maskos, K. | | Deposit date: | 2001-07-11 | | Release date: | 2001-09-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Substrate specificity determinants of human macrophage elastase (MMP-12) based on the 1.1 A crystal structure.
J.Mol.Biol., 312, 2001
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2GK6
 | | Structural and Functional insights into the human Upf1 helicase core | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Cheng, Z, Muhlrad, D, Parker, R, Song, H. | | Deposit date: | 2006-03-31 | | Release date: | 2007-01-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional insights into the human Upf1 helicase core
Embo J., 26, 2007
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1XOS
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Sildenafil | | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-06 | | Release date: | 2004-12-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1CYO
 | | BOVINE CYTOCHROME B(5) | | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Durley, R.C.E, Mathews, F.S. | | Deposit date: | 1994-08-03 | | Release date: | 1994-11-30 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Refinement and structural analysis of bovine cytochrome b5 at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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2KAE
 | | data-driven model of MED1:DNA complex | | Descriptor: | 5'-D(*DCP*DGP*DGP*DAP*DAP*DAP*DAP*DGP*DTP*DAP*DTP*DAP*DCP*DTP*DTP*DTP*DTP*DCP*DCP*DG)-3', GATA-type transcription factor, ZINC ION | | Authors: | Lowry, J.A, Gamsjaeger, R, Thong, S, Hung, W, Kwan, A.H, Broitman-Maduro, G, Matthews, J.M, Maduro, M, Mackay, J.P. | | Deposit date: | 2008-11-04 | | Release date: | 2009-01-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Analysis of MED-1 Reveals Unexpected Diversity in the Mechanism of DNA Recognition by GATA-type Zinc Finger Domains.
J.Biol.Chem., 284, 2009
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3C0V
 | | Crystal structure of cytokinin-specific binding protein in complex with cytokinin and Ta6Br12 | | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytokinin-specific binding protein, ... | | Authors: | Pasternak, O, Bujacz, A, Biesiadka, J, Bujacz, G, Sikorski, M, Jaskolski, M. | | Deposit date: | 2008-01-21 | | Release date: | 2008-05-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | MAD phasing using the (Ta(6)Br(12))(2+) cluster: a retrospective study
Acta Crystallogr.,Sect.D, 64, 2008
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6LPJ
 | | A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K | | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | | Deposit date: | 2020-01-10 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
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5V62
 | | Phospho-ERK2 bound to bivalent inhibitor SBP3 | | Descriptor: | 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ... | | Authors: | Lechtenberg, B.C, Riedl, S.J. | | Deposit date: | 2017-03-15 | | Release date: | 2017-07-26 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
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