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2C37
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BU of 2c37 by Molmil
RNASE PH CORE OF THE ARCHAEAL EXOSOME IN COMPLEX WITH U8 RNA
Descriptor: 5-O-phosphono-beta-D-ribofuranose, CHLORIDE ION, PROBABLE EXOSOME COMPLEX EXONUCLEASE 1, ...
Authors:Lorentzen, E, Conti, E.
Deposit date:2005-10-04
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of 3' End RNA Recognition and Exoribonucleolytic Cleavage by an Exosome Rnase Ph Core.
Mol.Cell, 20, 2005
2C58
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BU of 2c58 by Molmil
Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine
Descriptor: 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ...
Authors:Colletier, J.P, Fournier, D, Greenblatt, H.M, Sussman, J.L, Zaccai, G, Silman, I, Weik, M.
Deposit date:2005-10-26
Release date:2006-06-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights Into Substrate Traffic and Inhibition in Acetylcholinesterase.
Embo J., 25, 2006
4UVY
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BU of 4uvy by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one
Descriptor: 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Narwal, M, Lehtio, L.
Deposit date:2014-08-08
Release date:2015-07-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
2C2C
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BU of 2c2c by Molmil
REFINEMENT OF THE CRYSTAL STRUCTURE OF OXIDIZED RHODOSPIRILLUM RUBRUM CYTOCHROME C2
Descriptor: CYTOCHROME C2, HEME C
Authors:Bhatia, G, Finzel, B.C, Kraut, J.
Deposit date:1983-11-03
Release date:1984-02-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refinement of the Crystal Structure of Oxidized Rhodospirillum Rubrum Cytochrome C2
Thesis, 1981
4V1P
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BU of 4v1p by Molmil
BTN3 Structure
Descriptor: BUTYROPHILIN SUBFAMILY 3 MEMBER A1
Authors:James, L.C.
Deposit date:2014-09-30
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Activation of Human Gammadelta T Cells by Cytosolic Interactions of Btn3A1 with Soluble Phosphoantigens and the Cytoskeletal Adaptor Periplakin.
J.Immunol., 194, 2015
2C4F
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BU of 2c4f by Molmil
crystal structure of factor VII.stf complexed with pd0297121
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID, CALCIUM ION, ...
Authors:Kohrt, J.T, Zhang, E.
Deposit date:2005-10-18
Release date:2006-10-18
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The Discovery of Fluoropyridine-Based Inhibitors of the Factor Viia/Tf Complex--Part 2
Bioorg.Med.Chem.Lett., 16, 2006
4US1
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BU of 4us1 by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4UWU
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BU of 4uwu by Molmil
Lysozyme soaked with a ruthenium based CORM with a pyridine ligand (complex 7)
Descriptor: CARBON MONOXIDE, CHLORIDE ION, FORMIC ACID, ...
Authors:Santos, M.F.A, Mukhopadhyay, A, Romao, M.J, Romao, C.C, Santos-Silva, T.
Deposit date:2014-08-14
Release date:2014-12-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A Contribution to the Rational Design of Ru(Co)3Cl2L Complexes for in Vivo Delivery of Co.
Dalton Trans, 44, 2015
4USZ
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BU of 4usz by Molmil
Crystal structure of the first bacterial vanadium dependant iodoperoxidase
Descriptor: SODIUM ION, VANADATE ION, VANADIUM-DEPENDENT HALOPEROXIDASE
Authors:Rebuffet, E, Delage, L, Fournier, J.B, Rzonca, J, Potin, P, Michel, G, Czjzek, M, Leblanc, C.
Deposit date:2014-07-17
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Bacterial Vanadium Iodoperoxidase from the Marine Flavobacteriaceae Zobellia Galactanivorans Reveals Novel Molecular and Evolutionary Features of Halide Specificity in This Enzyme Family.
Appl.Environ.Microbiol., 80, 2014
7AHK
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BU of 7ahk by Molmil
Crystal structure of the outward-facing state of the substrate-free Na+-only bound glutamate transporter homolog GltPh
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, GLYCEROL, ...
Authors:Kovalev, K, Alleva, C, Astashkin, A, Machtens, J.-P, Fahlke, C, Gordeliy, V.
Deposit date:2020-09-24
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Na + -dependent gate dynamics and electrostatic attraction ensure substrate coupling in glutamate transporters.
Sci Adv, 6, 2020
4V16
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BU of 4v16 by Molmil
KlHsv2 with loop 6CD replaced by a Gly-Ser linker
Descriptor: SVP1-LIKE PROTEIN 2
Authors:Busse, R.A, Scacioc, A, Krick, R, Perez-Lara, A, Thumm, M, Kuhnel, K.
Deposit date:2014-09-25
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Characterization of Proppin-Phosphoinositide Binding and Role of Loop 6Cd in Proppin-Membrane Binding.
Biophys.J., 108, 2015
4UQX
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BU of 4uqx by Molmil
Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, HSIE1
Authors:Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A.
Deposit date:2014-06-25
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes.
J.Biol.Chem., 289, 2014
4UQS
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BU of 4uqs by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 3-Bromo-7-Nitroindazole
Descriptor: 3-BROMO-7-NITROINDAZOLE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-06-24
Release date:2014-09-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Redox Partners and Development of a Novel Chimeric Bacterial Nitric Oxide Synthase for Structure Activity Analyses.
J.Biol.Chem., 289, 2014
2BHL
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BU of 2bhl by Molmil
X-RAY STRUCTURE OF HUMAN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (DELETION VARIANT) COMPLEXED WITH GLUCOSE-6-PHOSPHATE
Descriptor: 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE 1-DEHYDROGENASE, GLYCEROL
Authors:Kotaka, M, Gover, S, Lam, V.M.S, Adams, M.J.
Deposit date:2005-01-13
Release date:2005-04-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Studies of Glucose-6-Phosphate and Nadp+ Binding to Human Glucose-6-Phosphate Dehydrogenase
Acta Crystallogr.,Sect.D, 61, 2005
4UTW
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BU of 4utw by Molmil
Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens
Descriptor: CHLORIDE ION, N-acetyl-D-glucosamine-6-phosphate, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE
Authors:Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F.
Deposit date:2014-07-23
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway
J.Biol.Chem., 289, 2014
6CNP
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BU of 6cnp by Molmil
Crystal structure of MBD2 complex with methylated CpG island
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain protein 2, ...
Authors:Xu, C, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-03-08
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the ability of MBD domains to bind methyl-CG and TG sites in DNA.
J. Biol. Chem., 293, 2018
4UYD
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BU of 4uyd by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide
Descriptor: 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2014-08-30
Release date:2014-09-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
4UV0
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BU of 4uv0 by Molmil
Structure of a semisynthetic phosphorylated DAPK
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 1, TRIETHYLENE GLYCOL
Authors:de Diego, I, Rios, P, Meyer, C, Koehn, M, Wilmanns, M.
Deposit date:2014-08-01
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular Mechanisms Behind Dapk Regulation: How the Phosphorylation Activity Switch Works
To be Published
4UVR
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BU of 4uvr by Molmil
Binding mode, selectivity and potency of N-indolyl-oxopyridinyl-4- amino-propanyl-based inhibitors targeting Trypanosoma cruzi CYP51
Descriptor: Nalpha-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-fluorobenzoyl}-N-pyridin-4-yl-D-tryptophanamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-DEMETHYLASE, ...
Authors:Vieira, D.F, Choi, J.Y, Calvet, C.M, Gut, J, Kellar, D, Siqueira-Neto, J.L, Johnston, J.B, McKerrow, J.H, Roush, W.R, Podust, L.M.
Deposit date:2014-08-08
Release date:2014-11-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Binding Mode and Potency of N-Indolyl-Oxopyridinyl-4-Amino-Propanyl-Based Inhibitors Targeting Trypanosoma Cruzi Cyp51
J.Med.Chem., 57, 2014
4UX9
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BU of 4ux9 by Molmil
Crystal structure of JNK1 bound to a MKK7 docking motif
Descriptor: DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 7, MITOGEN-ACTIVATED PROTEIN KINASE 8, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Kragelj, J, Palencia, A, Nanao, M.H, Maurin, D, Bouvignies, G, Blackledge, M, Ringkjobing-Jensen, M.
Deposit date:2014-08-20
Release date:2015-03-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure and Dynamics of the Mkk7-Jnk Signaling Complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
4UXR
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BU of 4uxr by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
4UY0
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BU of 4uy0 by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
Deposit date:2014-08-27
Release date:2014-09-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
4V19
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BU of 4v19 by Molmil
Structure of the large subunit of the mammalian mitoribosome, part 1 of 2
Descriptor: MAGNESIUM ION, MITORIBOSOMAL 16S RRNA, MITORIBOSOMAL CP TRNA, ...
Authors:Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N.
Deposit date:2014-09-25
Release date:2014-10-08
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
9CZ7
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BU of 9cz7 by Molmil
Crystal structure of integrin avb6 headpiece in complex with compound 12
Descriptor: (2S)-phenyl{(3S)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid, 17E6 Fab heavy chain, 17E6 Fab light chain, ...
Authors:Monroy, M.F, Qiao, Q, Lin, F.Y.
Deposit date:2024-08-04
Release date:2024-11-13
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin alpha v beta 6 Inhibitor for Fibrosis.
J.Med.Chem., 67, 2024
9CZF
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Crystal structure of integrin avb6 headpiece in complex with compound MORF-627
Descriptor: (2S)-{5-fluoro-2-[(6S)-5-oxaspiro[2.5]octan-6-yl]phenyl}{(3R)-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]pyrrolidin-1-yl}acetic acid, 17E6 Fab heavy chain, 17E6 Fab light chain, ...
Authors:Monroy, M.F, Qiao, Q, Lin, F.Y.
Deposit date:2024-08-05
Release date:2024-11-13
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:The Discovery of MORF-627, a Highly Selective Conformationally-Biased Zwitterionic Integrin alpha v beta 6 Inhibitor for Fibrosis.
J.Med.Chem., 67, 2024

243531

數據於2025-10-22公開中

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