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1NH9
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BU of 1nh9 by Molmil
Crystal Structure of a DNA Binding Protein Mja10b from the hyperthermophile Methanococcus jannaschii
Descriptor: DNA-binding protein Alba
Authors:Wang, G, Bartlam, M, Guo, R, Yang, H, Xue, H, Liu, Y, Huang, L, Rao, Z.
Deposit date:2002-12-19
Release date:2003-12-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a DNA binding protein from the hyperthermophilic euryarchaeon Methanococcus jannaschii
Protein Sci., 12, 2003
5AK7
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BU of 5ak7 by Molmil
Structure of wt Porphyromonas gingivalis peptidylarginine deiminase
Descriptor: 1,2-ETHANEDIOL, ALANINE, ARGININE, ...
Authors:Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W.
Deposit date:2015-03-02
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016
1N9R
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BU of 1n9r by Molmil
Crystal structure of a heptameric ring complex of yeast SmF in spacegroup P4122
Descriptor: Small nuclear ribonucleoprotein F
Authors:Collins, B.M, Cubeddu, L, Naidoo, N, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C.
Deposit date:2002-11-26
Release date:2002-12-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Homomeric ring assemblies of eukaryotic Sm proteins have affinity for both RNA and DNA: Crystal structure of an oligomeric complex of yeast SmF
J.Biol.Chem., 278, 2003
5AL3
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BU of 5al3 by Molmil
Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one
Descriptor: (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Nkizinkiko, Y, Lehtio, L.
Deposit date:2015-03-06
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
5YH5
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BU of 5yh5 by Molmil
The crystal structure of Staphylococcus aureus CntA in apo form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein
Authors:Song, L, Ji, Q.
Deposit date:2017-09-27
Release date:2018-03-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanistic insights into staphylopine-mediated metal acquisition
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1NKM
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BU of 1nkm by Molmil
Complex structure of HCMV Protease and a peptidomimetic inhibitor
Descriptor: Assemblin, N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide
Authors:Khayat, R, Batra, R, Qian, C, Halmos, T, Bailey, M, Tong, L.
Deposit date:2003-01-03
Release date:2003-02-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Biochemical Studies of Inhibitor Binding to Human Cytomegalovirus Protease
Biochemistry, 42, 2003
1VYT
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BU of 1vyt by Molmil
beta3 subunit complexed with aid
Descriptor: CALCIUM CHANNEL BETA-3 SUBUNIT, VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL ALPHA-1C SUBUNIT
Authors:Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Tong, L, Yang, J.
Deposit date:2004-05-07
Release date:2004-06-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels
Nature, 429, 2004
5AI5
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BU of 5ai5 by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-02-12
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
1NBW
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BU of 1nbw by Molmil
Glycerol dehydratase reactivase
Descriptor: CALCIUM ION, GLYCEROL DEHYDRATASE REACTIVASE ALPHA SUBUNIT, GLYCEROL DEHYDRATASE REACTIVASE BETA SUBUNIT
Authors:Liao, D.-I, Reiss, L, Turner Jr, I, Dotson, G.
Deposit date:2002-12-04
Release date:2003-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of glycerol dehydratase reactivase: A new type of molecular chaperone
Structure, 11, 2003
7QBA
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BU of 7qba by Molmil
CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O.
Deposit date:2021-11-18
Release date:2022-08-03
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
1W31
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BU of 1w31 by Molmil
YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC ACID COMPLEX
Descriptor: 5-HYDROXYLAEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, ZINC ION
Authors:Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Beaven, G.D.E, Gill, R, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R.
Deposit date:2004-07-11
Release date:2005-08-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with the Inhibitor 5-Hydroxylaevulinic Acid
Acta Crystallogr.,Sect.D, 61, 2005
1NDI
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BU of 1ndi by Molmil
Carnitine Acetyltransferase in complex with CoA
Descriptor: COENZYME A, Carnitine Acetyltransferase
Authors:Jogl, G, Tong, L.
Deposit date:2002-12-09
Release date:2003-01-28
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport
Cell(Cambridge,Mass.), 112, 2003
5AD2
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BU of 5ad2 by Molmil
Bivalent binding to BET bromodomains
Descriptor: (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D.
Deposit date:2015-08-19
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
5AEH
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BU of 5aeh by Molmil
Crystal structure of human tankyrase 2 in complex with OD332
Descriptor: N-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide, TANKYRASE-2, ZINC ION
Authors:Ignatev, A, Lehtio, L.
Deposit date:2015-08-31
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
1N9I
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BU of 1n9i by Molmil
structure of earth-grown oxidized myoglobin mutant YQR (ISS8A)
Descriptor: HYDROXIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Miele, A.E, Sciara, G, Federici, L, Vallone, B, Brunori, M.
Deposit date:2002-11-25
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Analysis of the effect of microgravity on protein crystal quality: the case of a myoglobin triple mutant.
Acta Crystallogr.,Sect.D, 59, 2003
5ALB
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BU of 5alb by Molmil
Ticagrelor antidote candidate MEDI2452 in complex with ticagrelor
Descriptor: MEDI2452 HEAVY CHAIN, MEDI2452 LIGHT CHAIN, Ticagrelor
Authors:Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S.
Deposit date:2015-03-07
Release date:2015-04-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural and Functional Characterisation of a Specific Antidote for Ticagrelor.
Blood, 125, 2015
5AKK
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BU of 5akk by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-03
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
5YN6
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BU of 5yn6 by Molmil
Crystal structure of MERS-CoV nsp10/nsp16 complex bound to SAM
Descriptor: S-ADENOSYLMETHIONINE, ZINC ION, nsp10 protein, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
5AIS
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BU of 5ais by Molmil
Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.
Descriptor: 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ...
Authors:Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F.
Deposit date:2015-02-17
Release date:2015-06-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds).
Bioorg.Med.Chem.Lett., 25, 2015
5YNN
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BU of 5ynn by Molmil
Crystal structure of MERS-CoV nsp16/nsp10complex bound to sinefungin and m7GpppG
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, SINEFUNGIN, ZINC ION, ...
Authors:Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P.
Deposit date:2017-10-24
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
1NAX
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BU of 1nax by Molmil
Thyroid receptor beta1 in complex with a beta-selective ligand
Descriptor: Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID
Authors:Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J.
Deposit date:2002-11-29
Release date:2003-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1.
J.Med.Chem., 46, 2003
1W51
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BU of 1w51 by Molmil
BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor
Descriptor: 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION
Authors:Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J.
Deposit date:2004-08-04
Release date:2004-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Apo and Inhibitor Complex Structures of Bace (Beta-Secretase)
J.Mol.Biol., 343, 2004
1NBL
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BU of 1nbl by Molmil
NMR Structure of Hellethionin D
Descriptor: Hellethionin D
Authors:Milbradt, A.G, Kerek, F, Moroder, L, Renner, C.
Deposit date:2002-12-03
Release date:2003-03-11
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structural Characterization of Hellethionins from Helleborus purpurascens
Biochemistry, 42, 2003
5LXF
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BU of 5lxf by Molmil
Crystal structure of the human Macrophage Colony Stimulating Factor M- CSF_C31S variant
Descriptor: Macrophage colony-stimulating factor 1
Authors:Shahar, A, Papo, N, Zarivach, R, Kosloff, M, Bakhman, A, Rosenfeld, L, Zur, Y, Levaot, N.
Deposit date:2016-09-21
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Engineering a monomeric variant of macrophage colony-stimulating factor (M-CSF) that antagonizes the c-FMS receptor.
Biochem. J., 474, 2017
1NCH
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BU of 1nch by Molmil
STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS
Descriptor: N-CADHERIN, YTTERBIUM (III) ION
Authors:Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A.
Deposit date:1995-03-23
Release date:1995-07-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of cell-cell adhesion by cadherins.
Nature, 374, 1995

224004

數據於2024-08-21公開中

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