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4GOE
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BU of 4goe by Molmil
Crystal structure of the SGTA homodimerization domain with a covalent modification of a single C38
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Small glutamine-rich tetratricopeptide repeat-containing protein alpha
著者Chartron, J.W, VanderVelde, D.G, Clemons Jr, W.M.
登録日2012-08-19
公開日2012-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structures of the Sgt2/SGTA Dimerization Domain with the Get5/UBL4A UBL Domain Reveal an Interaction that Forms a Conserved Dynamic Interface.
Cell Rep, 2, 2012
3VVI
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BU of 3vvi by Molmil
Crystal structure of the coiled-coil domain of the transient receptor potential channel from Gibberella zeae (TRPGz)
分子名称: ACETATE ION, Non selective cation channel homologous to TRP channel
著者Ihara, M, Yamashita, A.
登録日2012-07-25
公開日2013-04-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular bases of multimodal regulation of a fungal transient receptor potential (TRP) channel
J.Biol.Chem., 288, 2013
4GOX
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BU of 4gox by Molmil
Sulfotransferase Domain from the Synechococcus PCC 7002 Olefin Synthase
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Polyketide synthase
著者McCarthy, J.G, Smith, J.L.
登録日2012-08-20
公開日2012-10-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of functional group activation by sulfotransferases in complex metabolic pathways.
Acs Chem.Biol., 7, 2012
4GPC
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BU of 4gpc by Molmil
Structure of the biliverdin-HmuO, heme oxygenase from Corynebacterium diphtheriae
分子名称: ASCORBIC ACID, BILIVERDINE IX ALPHA, Heme oxygenase, ...
著者Unno, M, Ikeda-Saito, M.
登録日2012-08-20
公開日2013-08-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structures of the Substrate-Free and the Product-Bound forms of HmuO, a Heme Oxygenase from Corynebacterium diphtheriae
To be Published
4GNK
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BU of 4gnk by Molmil
Crystal structure of Galphaq in complex with full-length human PLCbeta3
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Lyon, A.M, Tesmer, J.J.G.
登録日2012-08-17
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Full-length G alpha (q)-phospholipase C-beta 3 structure reveals interfaces of the C-terminal coiled-coil domain.
Nat.Struct.Mol.Biol., 20, 2013
4GPS
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BU of 4gps by Molmil
Crystal Structure of K. lactis Dxo1 (YDR370C)
分子名称: CITRIC ACID, KLLA0E02245p
著者Chang, J.H, Chiba, K, Tong, L.
登録日2012-08-21
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Dxo1 is a new type of eukaryotic enzyme with both decapping and 5'-3' exoribonuclease activity.
Nat.Struct.Mol.Biol., 19, 2012
3VWO
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BU of 3vwo by Molmil
Crystal structure of peptidoglycan hydrolase mutant from Sphingomonas sp. A1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Peptidoglycan hydrolase FlgJ
著者Maruyama, Y, Mikami, B, Hashimoto, W, Murata, K.
登録日2012-08-30
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Crystal structure of peptidoglycan hydrolase mutant from Sphingomonas sp. A1
To be Published
3VCB
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BU of 3vcb by Molmil
C425S mutant of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59
分子名称: RNA-directed RNA polymerase
著者Xu, X, Lou, Z, Ma, Y, Chen, X, Yang, Z, Tong, X, Zhao, Q, Xu, Y, Deng, H, Bartlam, M, Rao, Z.
登録日2012-01-03
公開日2012-01-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
4GOY
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BU of 4goy by Molmil
The crystal structure of human fascin 1 K41A mutant
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BROMIDE ION, CHLORIDE ION, ...
著者Yang, S.Y, Huang, F.K, Huang, J, Chen, S, Jakoncic, J, Leo-Macias, A, Diaz-Avalos, R, Chen, L, Zhang, J.J, Huang, X.Y.
登録日2012-08-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular mechanism of fascin function in filopodial formation.
J.Biol.Chem., 288, 2013
4GPG
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BU of 4gpg by Molmil
X/N joint refinement of Achromobacter Lyticus Protease I free form at pD8.0
分子名称: Protease 1
著者Ohnishi, Y, Yamada, T, Kurihara, K, Tanaka, I, Sakiyama, F, Masaki, T, Niimura, N.
登録日2012-08-21
公開日2013-09-11
最終更新日2023-11-08
実験手法NEUTRON DIFFRACTION (1.895 Å), X-RAY DIFFRACTION
主引用文献Neutron and X-ray crystallographic analysis of Achromobacter protease I at pD 8.0: protonation states and hydration structure in the free-form.
Biochim.Biophys.Acta, 1834, 2013
4GQ3
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BU of 4gq3 by Molmil
Human menin with bound inhibitor MI-2
分子名称: 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, Menin, ...
著者Shi, A, Murai, M.J, He, S, Lund, G.L, Hartley, T, Purohit, T, Reddy, G, Chruszcz, M, Grembecka, J, Cierpicki, T.
登録日2012-08-22
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural insights into inhibition of the bivalent menin-MLL interaction by small molecules in leukemia.
Blood, 120, 2012
4GSU
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BU of 4gsu by Molmil
Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains
分子名称: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Probable conserved lipoprotein LPPS
著者Kim, H.S, Kim, J, Im, H.N, Yoon, J.Y, An, D.R, Yoon, H.J, Kim, J.Y, Min, H.K, Kim, S.-J, Lee, J.Y, Han, B.W, Suh, S.W.
登録日2012-08-28
公開日2013-02-27
最終更新日2022-02-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by meropenem, a drug effective against extensively drug-resistant strains
Acta Crystallogr.,Sect.D, 69, 2013
3VE5
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BU of 3ve5 by Molmil
Structure of recombination mediator protein RecR16-196 deletion mutant
分子名称: IMIDAZOLE, Recombination protein recR, ZINC ION
著者Tang, Q, Yan, X.X, Liang, D.C.
登録日2012-01-07
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RecOR complex including RecR N-N dimer and RecO monomer displays a high affinity for ssDNA
Nucleic Acids Res., 40, 2012
4GQL
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BU of 4gql by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-23
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
3VEH
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BU of 3veh by Molmil
Structure of a M. tuberculosis salicylate synthase, MbtI, in complex with an inhibitor methylAMT
分子名称: 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Bulloch, E.M, Chi, G, Manos-Turvey, A, Johnston, J.M, Baker, E.N, Payne, R.J, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2012-01-08
公開日2012-06-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis.
Biochemistry, 51, 2012
4GQW
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BU of 4gqw by Molmil
Crystal structure of CBS-pair protein, CBSX1 (loop deletion) from Arabidopsis thaliana
分子名称: CBS domain-containing protein CBSX1, chloroplastic
著者Jeong, B.-C, Song, H.K.
登録日2012-08-24
公開日2013-01-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Crystal structure of CBSX1 (loop deletion)
Biochem.Biophys.Res.Commun., 2012
3VF7
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BU of 3vf7 by Molmil
Crystal Structure of HIV-1 Protease Mutant L76V with novel P1'-Ligands GRL-02031
分子名称: (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T.
登録日2012-01-09
公開日2012-11-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring.
J.Med.Chem., 55, 2012
4GR3
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BU of 4gr3 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
分子名称: CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
3VIH
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BU of 3vih by Molmil
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with glycerol
分子名称: Beta-glucosidase, CHLORIDE ION, GLYCEROL, ...
著者Jeng, W.Y, Liu, C.I, Wang, A.H.J.
登録日2011-10-03
公開日2012-07-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
3VIU
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BU of 3viu by Molmil
Crystal structure of PurL from thermus thermophilus
分子名称: ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Suzuki, S, Yanai, H, Kanagawa, M, Tamura, S, Watanabe, Y, Fuse, K, Baba, S, Sampei, G, Kawai, G, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2011-10-12
公開日2012-01-18
最終更新日2012-04-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of N-formylglycinamide ribonucleotide amidotransferase II (PurL) from Thermus thermophilus HB8
Acta Crystallogr.,Sect.F, 68, 2012
4GUX
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BU of 4gux by Molmil
Crystal structure of trypsin:MCoTi-II complex
分子名称: ACETATE ION, CALCIUM ION, Cationic trypsin, ...
著者King, G.J, Daly, N.L, Thorstholm, L, Greenwood, K.P, Rosengren, K.J, Heras, B, Craik, D.J, Martin, J.L.
登録日2012-08-30
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structural insights into the role of the cyclic backbone in a squash trypsin inhibitor
J.Biol.Chem., 288, 2013
8AHO
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BU of 8aho by Molmil
Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with cyanamide analogue 31
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, NITRATE ION, ...
著者de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J.
登録日2022-07-22
公開日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors.
Chem Sci, 14, 2023
3VLJ
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BU of 3vlj by Molmil
Crystal Structure Analysis of the Cyanide Arg409Leu Variant Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI
分子名称: 3,3'-dimethoxybiphenyl-4,4'-diamine, CYANIDE ION, Catalase-peroxidase 2, ...
著者Sato, T, Higuchi, W, Yoshimatsu, K, Fujiwara, T.
登録日2011-12-01
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures and Peroxidatic Function of Cyanide Arg409Leu Variant and its Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI
To be Published
4GVQ
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BU of 4gvq by Molmil
X-ray structure of the Archaeoglobus fulgidus methenyl-tetrahydromethanopterin cyclohydrolase in complex with tetrahydromethanpterin
分子名称: 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol, Methenyltetrahydromethanopterin cyclohydrolase
著者Upadhyay, V, Demmer, U, Warkentin, E, Moll, J, Shima, S, Ermler, U.
登録日2012-08-31
公開日2012-10-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure and catalytic mechanism of N(5),N(10)-methenyl-tetrahydromethanopterin cyclohydrolase.
Biochemistry, 51, 2012
3VNG
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Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization
分子名称: 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid, Kelch-like ECH-associated protein 1
著者Kunishima, N, Tanaka, T, Satoh, M, Saburi, H.
登録日2012-01-12
公開日2013-01-16
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Keap1 in Complex with Synthetic Small Molecular based on a co-crystallization
To be Published

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