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7ZWE
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BU of 7zwe by Molmil
The Crystal structure of GW8695 bound to CK2alpha
分子名称: 7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2022-05-19
公開日2023-05-31
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 20, 2024
4R6N
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BU of 4r6n by Molmil
Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity
分子名称: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ...
著者Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M.
登録日2014-08-26
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
2IX1
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BU of 2ix1 by Molmil
RNase II D209N mutant
分子名称: 5'-D(*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP *AP*AP*A)-3', EXORIBONUCLEASE 2, MAGNESIUM ION
著者Frazao, C, McVey, C.E, Amblar, M, Barbas, A, Vonrhein, C, Arraiano, C.M, Carrondo, M.A.
登録日2006-07-05
公開日2006-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Unravelling the Dynamics of RNA Degradation by Ribonuclease II and its RNA-Bound Complex
Nature, 443, 2006
7AKZ
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BU of 7akz by Molmil
Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
分子名称: Outer membrane protein OprM, PALMITIC ACID, octyl beta-D-glucopyranoside
著者Ntsogo Enguene, V.Y, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I.
登録日2020-10-02
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa
To Be Published
7ALE
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BU of 7ale by Molmil
Crystal structure of human PAICS in complex with inhibitor 69
分子名称: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide, Multifunctional protein ADE2
著者Skerlova, J, Marttila, P, Unterlass, J, Jemth, A.-S, Henriksson, M, Wakchaure, P, Grube, M, Warpman Berglund, U, Homan, E, Helleday, T, Stenmark, P.
登録日2020-10-06
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Cellular and biochemical validation of a potent PAICS inhibitor
To Be Published
7B9E
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BU of 7b9e by Molmil
Crystal structure of MurE from E.coli in complex with Z275151340
分子名称: 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
著者Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
登録日2020-12-14
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of MurE from E.coli
To Be Published
4R1V
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BU of 4r1v by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors
分子名称: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
著者Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
登録日2014-08-07
公開日2015-03-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4RI2
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BU of 4ri2 by Molmil
Crystal structure of the photoprotective protein PsbS from spinach
分子名称: CHLOROPHYLL A, MERCURY (II) ION, Photosystem II 22 kDa protein, ...
著者Fan, M, Li, M, Chang, W.
登録日2014-10-05
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
4RI3
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BU of 4ri3 by Molmil
Crystal structure of DCCD-modified PsbS from spinach
分子名称: DICYCLOHEXYLUREA, MERCURY (II) ION, Photosystem II 22 kDa protein, ...
著者Fan, M, Li, M, Chang, W.
登録日2014-10-05
公開日2015-08-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the PsbS protein essential for photoprotection in plants.
Nat.Struct.Mol.Biol., 22, 2015
4RIK
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BU of 4rik by Molmil
Amyloid forming segment, AVVTGVTAV, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 69-77
分子名称: Alpha-synuclein
著者Guenther, E.L, Sawaya, M.R, Ivanova, M, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
8A8L
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BU of 8a8l by Molmil
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
分子名称: 6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, Cytochrome P450 protein, GLYCEROL, ...
著者Snee, M, Katariya, M, Levy, C.
登録日2022-06-23
公開日2023-07-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
To Be Published
8A9P
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BU of 8a9p by Molmil
Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, BROMIDE ION, CHLORIDE ION, ...
著者Snee, M, Katariya, M, Levy, C, Leys, D.
登録日2022-06-29
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Crystal structure of CYP142 from Mycobacterium tuberculosis in complex with a fragment
To Be Published
4RMS
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BU of 4rms by Molmil
Crystal structure of the D53N Beta-2 Microglobulin mutant
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER
著者de Rosa, M, Bolognesi, M, Ricagno, S.
登録日2014-10-22
公開日2015-11-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Decoding the Structural Bases of D76N 2-Microglobulin High Amyloidogenicity through Crystallography and Asn-Scan Mutagenesis.
Plos One, 10, 2015
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
著者Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2014-12-01
公開日2015-01-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RX0
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BU of 4rx0 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2014-12-08
公開日2015-07-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
4S0X
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BU of 4s0x by Molmil
Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, ...
著者Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2015-01-07
公開日2015-02-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of three phase partition - treated lipase from Thermomyces lanuginosa in complex with lauric acid at 2.1 A resolution
To be Published
4TMC
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BU of 4tmc by Molmil
CRYSTAL STRUCTURE of OLD YELLOW ENZYME from CANDIDA MACEDONIENSIS AKU4588 COMPLEXED with P-HYDROXYBENZALDEHYDE
分子名称: FLAVIN MONONUCLEOTIDE, Old yellow enzyme, P-HYDROXYBENZALDEHYDE
著者Horita, S, Kataoka, M, Kitamura, N, Nakagawa, T, Miyakawa, T, Ohtsuka, J, Nagata, K, Shimizu, S, Tanokura, M.
登録日2014-05-31
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Engineered Old Yellow Enzyme that Enables Efficient Synthesis of (4R,6R)-Actinol in a One-Pot Reduction System
Chembiochem, 16, 2015
1TLE
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BU of 1tle by Molmil
LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES
分子名称: LAMININ
著者Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A.
登録日1996-01-26
公開日1997-02-12
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structure of the nidogen binding LE module of the laminin gamma1 chain in solution.
J.Mol.Biol., 257, 1996
6CGK
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BU of 6cgk by Molmil
Structure of the HAD domain of effector protein Lem4 (lpg1101) from Legionella pneumophila (inactive mutant)with phosphate bound in the active site
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Beyrakhova, K.A, Xu, C, Cygler, M.
登録日2018-02-20
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Legionella pneumophilaeffector Lem4 is a membrane-associated protein tyrosine phosphatase.
J. Biol. Chem., 293, 2018
6IMV
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BU of 6imv by Molmil
The complex structure of endo-beta-1,2-glucanase from Talaromyces funiculosus with sophorose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Tanaka, N, Nakajima, M, Narukawa-Nara, M, Matsunaga, H, Kamisuki, S, Aramasa, H, Takahashi, Y, Sugimoto, N, Abe, K, Miyanaga, A, Yamashita, T, Sugawara, F, Kamakura, T, Komba, S, Nakai, H, Taguchi, H.
登録日2018-10-23
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification, characterization, and structural analyses of a fungal endo-beta-1,2-glucanase reveal a new glycoside hydrolase family.
J.Biol.Chem., 294, 2019
4I38
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BU of 4i38 by Molmil
Structures of IT intermediates from time-resolved laue crystallography collected at 14ID-B, APS
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Jung, Y.O, Lee, J.H, Kim, J, Schmidt, M, Vukica, S, Moffat, K, Ihee, H.
登録日2012-11-26
公開日2013-03-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography
NAT.CHEM., 5, 2013
3WOK
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BU of 3wok by Molmil
Crystal structure of the DAP BII (Space)
分子名称: GLYCEROL, ZINC ION, dipeptidyl aminopeptidase BII
著者Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
登録日2013-12-29
公開日2014-09-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献S46 peptidases are the first exopeptidases to be members of clan PA
SCI REP, 4, 2014
4I3I
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BU of 4i3i by Molmil
Structures of IT intermediate of photoactive yellow protein E46Q mutant from time-resolved laue crystallography collected at 14ID APS
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Jung, Y.O, Lee, J.H, Kim, J, Schmidt, M, Vukica, S, Moffat, K, Ihee, H.
登録日2012-11-26
公開日2013-03-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography
NAT.CHEM., 5, 2013
6CFM
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BU of 6cfm by Molmil
Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, CHLORIDE ION, GLYCEROL, ...
著者Counago, R.M, dos Reis, C.V, de Souza, G.P, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2018-02-15
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of the Human vaccinia-related kinase bound to a propynyl-pteridinone inhibitor
To Be Published
6CIL
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BU of 6cil by Molmil
PRE-REACTION COMPLEX, RAG1(E962Q)/2-INTACT/INTACT 12/23RSS COMPLEX IN MN2+
分子名称: High mobility group protein B1, Intact 12RSS substrate forward strand, Intact 12RSS substrate reverse strand, ...
著者Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W.
登録日2018-02-24
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.15 Å)
主引用文献Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018

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