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PDB: 51689 results

2ACE
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BU of 2ace by Molmil
NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO CALIFORNICA
Descriptor: ACETYLCHOLINE, ACETYLCHOLINESTERASE
Authors:Harel, M, Raves, M.L, Silman, I, Sussman, J.L.
Deposit date:1996-06-23
Release date:1996-11-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of acetylcholinesterase complexed with the nootropic alkaloid, (-)-huperzine A.
Nat.Struct.Biol., 4, 1997
2A29
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BU of 2a29 by Molmil
The solution structure of the AMP-PNP bound nucleotide binding domain of KdpB
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Potassium-transporting ATPase B chain
Authors:Haupt, M, Bramkamp, M, Coles, M, Altendorf, K, Kessler, H.
Deposit date:2005-06-22
Release date:2005-12-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The Holo-form of the Nucleotide Binding Domain of the KdpFABC Complex from Escherichia coli Reveals a New Binding Mode
J.Biol.Chem., 281, 2006
6IP8
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BU of 6ip8 by Molmil
Cryo-EM structure of the HCV IRES dependently initiated CMV-stalled 80S ribosome (Structure iv)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
Deposit date:2018-11-02
Release date:2019-05-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
3OLH
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Human 3-mercaptopyruvate sulfurtransferase
Descriptor: 3-mercaptopyruvate sulfurtransferase, SODIUM ION, SULFATE ION
Authors:Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Sehic, A, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-08-26
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human 3-Mercaptopyruvate Sulfurtransferase
To be Published
4N4A
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BU of 4n4a by Molmil
Cystal structure of Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1
Authors:Smietanski, M, Werener, M, Purta, E, Kaminska, K.H, Stepinski, J, Darzynkiewicz, E, Nowotny, M, Bujnicki, J.M.
Deposit date:2013-10-08
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation.
Nat Commun, 5, 2014
3P0L
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Human steroidogenic acute regulatory protein
Descriptor: Steroidogenic acute regulatory protein, mitochondrial
Authors:Lehtio, L, Siponen, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2010-09-29
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
5J27
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HSP90 in complex with 5-[4-(2-Fluoro-phenyl)-5-oxo-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propyl-benzenesulfonamide
Descriptor: 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide, Heat shock protein HSP 90-alpha
Authors:Amaral, M, Matias, P.
Deposit date:2016-03-29
Release date:2017-12-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein conformational flexibility modulates kinetics and thermodynamics of drug binding.
Nat Commun, 8, 2017
6G97
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5H6M
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BU of 5h6m by Molmil
DNA targeting ADP-ribosyltransferase Pierisin-1
Descriptor: 1,2-ETHANEDIOL, Pierisin-1
Authors:Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M.
Deposit date:2016-11-14
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1
J. Biol. Chem., 292, 2017
6G9H
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6BN5
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Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2
Descriptor: 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R.
Deposit date:2017-11-16
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2.
Bioorg. Med. Chem., 25, 2017
5H7V
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Structure of full-length extracellular domain of HAI-1 at pH 4.6
Descriptor: Kunitz-type protease inhibitor 1
Authors:Liu, M, Huang, M.
Deposit date:2016-11-21
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:The crystal structure of a multidomain protease inhibitor (HAI-1) reveals the mechanism of its auto-inhibition
J. Biol. Chem., 292, 2017
1CP8
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BU of 1cp8 by Molmil
NMR STRUCTURE OF DNA (5'-D(TTGGCCAA)2-3') COMPLEXED WITH NOVEL ANTITUMOR DRUG UCH9
Descriptor: 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE, DNA (5'-D(P*TP*TP*GP*GP*CP*CP*AP*A)-3'), MAGNESIUM ION, ...
Authors:Katahira, R, Katahira, M, Yamashita, Y, Ogawa, H, Kyogoku, Y, Yoshida, M.
Deposit date:1999-06-11
Release date:1999-07-01
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of the novel antitumor drug UCH9 complexed with d(TTGGCCAA)2 as determined by NMR.
Nucleic Acids Res., 26, 1998
6G93
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5ULL
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BU of 5ull by Molmil
CLOSTRIDIUM BEIJERINCKII FLAVODOXIN: REDUCED
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Ludwig, M.L, Pattridge, K.A, Metzger, A.L, Dixon, M.M, Eren, M, Feng, Y, Swenson, R.
Deposit date:1997-01-09
Release date:1997-03-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Control of oxidation-reduction potentials in flavodoxin from Clostridium beijerinckii: the role of conformation changes.
Biochemistry, 36, 1997
6IP5
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BU of 6ip5 by Molmil
Cryo-EM structure of the CMV-stalled human 80S ribosome (Structure ii)
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T.
Deposit date:2018-11-02
Release date:2019-05-29
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
6G9J
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Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
5CWZ
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BU of 5cwz by Molmil
Crystal structure of the kinase domain of human TRAF2 and NCK-interacting protein kinase
Descriptor: TRAF2 and NCK-interacting protein kinase
Authors:Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M.
Deposit date:2015-07-28
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
8BG9
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Murine amyloid-beta filaments with the Arctic mutation (E22G) from APP(NL-G-F) mouse brains | ABeta
Descriptor: Amyloid-beta protein 40
Authors:Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W.
Deposit date:2022-10-27
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
5V7T
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crystal structure of PARP14 bound to N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine inhibitor
Descriptor: N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine, Poly [ADP-ribose] polymerase 14
Authors:saikatendu, k.s, Hirozane, M.
Deposit date:2017-03-20
Release date:2017-05-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of PARP14 inhibitors using novel methods for detecting auto-ribosylation.
Biochem. Biophys. Res. Commun., 486, 2017
8BG0
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Amyloid-beta tetrameric filaments with the Arctic mutation (E22G) from Alzheimer's disease brains | ABeta40
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordber, A, Goedert, M, Scheres, S.H.W.
Deposit date:2022-10-27
Release date:2023-01-18
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (1.99 Å)
Cite:Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
5HKM
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BU of 5hkm by Molmil
DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION
Authors:Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U.
Deposit date:2016-01-14
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8BFZ
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BU of 8bfz by Molmil
Amyloid-beta 42 filaments extracted from the human brain with Arctic mutation (E22G) of Alzheimer's disease | ABeta42
Descriptor: Amyloid-beta precursor protein
Authors:Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordberg, A, Goedert, M, Scheres, S.H.W.
Deposit date:2022-10-27
Release date:2023-01-18
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains.
Acta Neuropathol, 145, 2023
5UOS
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BU of 5uos by Molmil
Crystal Structure of CblC (MMACHC) (1-238), a human B12 processing enzyme, complexed with an Antivitamin B12
Descriptor: 1-ethynyl-2,4-difluorobenzene, 2-PHENYLAMINO-ETHANESULFONIC ACID, COBALAMIN, ...
Authors:Shanmuganathan, A, Karasik, A, Ruetz, M, Banerjee, R, Krautler, B, Koutmos, M.
Deposit date:2017-02-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Antivitamin B12 Inhibition of the Human B12 -Processing Enzyme CblC: Crystal Structure of an Inactive Ternary Complex with Glutathione as the Cosubstrate.
Angew. Chem. Int. Ed. Engl., 56, 2017
1CTF
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STRUCTURE OF THE C-TERMINAL DOMAIN OF THE RIBOSOMAL PROTEIN L7/L12 FROM ESCHERICHIA COLI AT 1.7 ANGSTROMS
Descriptor: RIBOSOMAL PROTEIN L7/L12, SULFATE ION
Authors:Leijonmarck, M, Liljas, A.
Deposit date:1986-09-02
Release date:1987-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the C-terminal domain of the ribosomal protein L7/L12 from Escherichia coli at 1.7 A.
J.Mol.Biol., 195, 1987

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