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3OMO
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BU of 3omo by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
6NAG
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BU of 6nag by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron "iotapain
Descriptor: Clostripain-related protein, PROLINE
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
6I5W
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BU of 6i5w by Molmil
BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose
Descriptor: ACETATE ION, Solute Binding Protein BlMnBP1, Blac_00780 in complex with mannopentaose, ...
Authors:Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J.
Deposit date:2018-11-14
Release date:2019-04-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles.
Mol.Microbiol., 112, 2019
6I6W
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BU of 6i6w by Molmil
Circular permutant of ribosomal protein S6, adding 6aa to C terminal of P68-69
Descriptor: 30S ribosomal protein S6,30S ribosomal protein S6
Authors:Wang, H, Logan, D.T, Oliveberg, M.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Exposing the distinctive modular behavior of beta-strands and alpha-helices in folded proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6I8M
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BU of 6i8m by Molmil
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH ISOINDOLINONE INHIBITOR
Descriptor: (1~{S})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide, Poly [ADP-ribose] polymerase 1
Authors:Casale, E, Papeo, G, Montagnoli, A.
Deposit date:2018-11-20
Release date:2019-05-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Stereospecific PARP-1 Inhibitor Isoindolinone NMS-P515.
Acs Med.Chem.Lett., 10, 2019
6IAL
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BU of 6ial by Molmil
Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose
Descriptor: CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Heim, J.B, Heggelund, J.E, Krengel, U.
Deposit date:2018-11-27
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography.
Int J Mol Sci, 20, 2019
6O3B
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BU of 6o3b by Molmil
Crystal structure of Frizzled 7 CRD in complex with F6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab F6, Heavy chain, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3OLS
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BU of 3ols by Molmil
Crystal structure of estrogen receptor beta ligand binding domain
Descriptor: ESTRADIOL, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, Rose, R, Carraz, M, Visser, A, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-26
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Synthesis and crystal structure of a phosphorylated estrogen receptor ligand binding domain.
Chembiochem, 11, 2010
6O39
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BU of 6o39 by Molmil
Crystal structure of Frizzled 5 CRD in complex with F2.I Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NYH
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BU of 6nyh by Molmil
Structure of human RIPK1 kinase domain in complex with GNE684
Descriptor: (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Fong, R, Lupardus, P.J.
Deposit date:2019-02-11
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RIP1 inhibition blocks inflammatory diseases but not tumor growth or metastases.
Cell Death Differ., 27, 2020
1GTV
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BU of 1gtv by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE-5'-DIPHOSPHATE (TDP)
Descriptor: ACETATE ION, MAGNESIUM ION, SULFATE ION, ...
Authors:Ursby, T, Weik, M, Fioravanti, E, Delarue, M, Goeldner, M, Bourgeois, D.
Deposit date:2002-01-21
Release date:2002-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cryophotolysis of Caged Compounds: A Technique for Trapping Intermediate States in Protein Crystals
Acta Crystallogr.,Sect.D, 58, 2002
1HFQ
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BU of 1hfq by Molmil
COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine.
Anti-Cancer Drug Des., 13, 1998
1GOL
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BU of 1gol by Molmil
COORDINATES OF RAT MAP KINASE ERK2 WITH AN ARGININE MUTATION AT POSITION 52
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, EXTRACELLULAR REGULATED KINASE 2, MAGNESIUM ION
Authors:Harkins, P.C, Zhang, F, Goldsmith, E.J.
Deposit date:1996-01-23
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutation of position 52 in ERK2 creates a nonproductive binding mode for adenosine 5'-triphosphate.
Biochemistry, 35, 1996
1HFH
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BU of 1hfh by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
Descriptor: FACTOR H, 15TH AND 16TH C-MODULE PAIR
Authors:Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
Deposit date:1993-02-23
Release date:1993-07-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
1HFI
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BU of 1hfi by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
Descriptor: FACTOR H, 15TH C-MODULE PAIR
Authors:Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
Deposit date:1993-02-23
Release date:1993-07-15
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
8EG3
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BU of 8eg3 by Molmil
Structure of human placental steroid (estrone/DHEA) sulfatase at 2.0 angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, PHOSPHATE ION, ...
Authors:Ghosh, D.
Deposit date:2022-09-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of human placental steroid sulfatase at 2.0 angstrom resolution: Catalysis, quaternary association, and a secondary ligand site.
J.Steroid Biochem.Mol.Biol., 227, 2022
1GUK
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BU of 1guk by Molmil
CRYSTAL STRUCTURE OF MURINE ALPHA-CLASS GSTA4-4
Descriptor: GLUTATHIONE S-TRANSFERASE A4-4
Authors:Krengel, U, Schroter, K.H, Hoier, H, Dijkstra, B.W.
Deposit date:1997-12-11
Release date:1998-04-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a murine alpha-class glutathione S-transferase involved in cellular defense against oxidative stress.
FEBS Lett., 422, 1998
7ZVB
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BU of 7zvb by Molmil
Crystal Structure of the mature form of the glutamic-class prolyl-endopeptidase neprosin at 2.35 A resolution.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-terminal peptidase, TRIETHYLENE GLYCOL, ...
Authors:Del Amo-Maestro, L, Eckhard, U, Rodriguez-Banqueri, A, Mendes, S.R, Guevara, T, Gomis-Ruth, F.X.
Deposit date:2022-05-14
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular and in vivo studies of a glutamate-class prolyl-endopeptidase for coeliac disease therapy.
Nat Commun, 13, 2022
7ZPK
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BU of 7zpk by Molmil
Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit
Descriptor: 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2
Authors:Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J.
Deposit date:2022-04-27
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
7ZPI
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BU of 7zpi by Molmil
Mammalian Dicer in the "dicing state" with pre-miR-15a substrate
Descriptor: 59-nt precursor of miR-15a, Endoribonuclease Dicer
Authors:Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J.
Deposit date:2022-04-27
Release date:2022-11-16
Method:ELECTRON MICROSCOPY (5.91 Å)
Cite:Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
6O3A
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BU of 6o3a by Molmil
Crystal structure of Frizzled 7 CRD in complex with F7.B Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1H25
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BU of 1h25 by Molmil
CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, RETINOBLASTOMA-ASSOCIATED PROTEIN
Authors:Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N.
Deposit date:2002-07-31
Release date:2003-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
8DYG
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BU of 8dyg by Molmil
IL17A homodimer bound to Compound 7
Descriptor: (5P)-2-hydroxy-5-(6-methylquinolin-5-yl)benzoic acid, Interleukin-17A
Authors:Argiriadi, M.A, Goedken, E.R.
Deposit date:2022-08-04
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Identification and structure-based drug design of cell-active inhibitors of interleukin 17A at a novel C-terminal site.
Sci Rep, 12, 2022
3BO8
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BU of 3bo8 by Molmil
The High Resolution Crystal Structure of HLA-A1 Complexed with the MAGE-A1 Peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Kumar, P, Vahedi-Faridi, A, Saenger, W, Ziegler, A, Uchanska-Ziegler, B.
Deposit date:2007-12-17
Release date:2008-12-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity
Protein Sci., 18, 2009
4RWI
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BU of 4rwi by Molmil
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M), apo
Descriptor: Fibroblast growth factor receptor 1
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015

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数据于2024-07-17公开中

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