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6LEI
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BU of 6lei by Molmil
Structure of D-carbamoylase from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C.
登録日2019-11-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
7C3Y
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BU of 7c3y by Molmil
Crystal structure of the N-terminal domain of human MdmX protein in complex with Nutlin3a
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4
著者Su, Z.D, Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z.
登録日2020-05-14
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献Crystal structure of the N-terminal domain of human MdmX protein in complex with Nutlin3a
To Be Published
6LFX
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BU of 6lfx by Molmil
Crystal structure of PCB4scFv(hN56D) in complex with PCB#77
分子名称: 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene, PCB4scFv(hN56D)
著者Nakamura, T, Yamagata, Y, Morioka, H.
登録日2019-12-03
公開日2020-12-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of PCB4scFv(hN56D) in complex with PCB#77
To Be Published
5CTI
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BU of 5cti by Molmil
Crystal structure of the type IX collagen NC2 hetero-trimerization domain with a guest fragment a2a1a1 of type I collagen (native form)
分子名称: Collagen alpha-1(I) chain,Collagen alpha-1(IX) chain, Collagen alpha-1(I) chain,Collagen alpha-3(IX) chain, Collagen alpha-2(I) chain,Collagen alpha-2(IX) chain, ...
著者Boudko, S.P, Bachinger, H.P.
登録日2015-07-24
公開日2016-08-03
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8994 Å)
主引用文献Structural insight for chain selection and stagger control in collagen.
Sci Rep, 6, 2016
1BJR
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BU of 1bjr by Molmil
COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K
分子名称: CALCIUM ION, LACTOFERRIN, PROTEINASE K
著者Singh, T.P, Sharma, S, Karthikeyan, S, Betzel, C, Bhatia, K.L.
登録日1998-06-27
公開日1998-11-04
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of a complex formed between proteolytically-generated lactoferrin fragment and proteinase K.
Proteins, 33, 1998
4NCY
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BU of 4ncy by Molmil
In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
登録日2013-10-25
公開日2014-04-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
4WY1
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BU of 4wy1 by Molmil
Crystal structure of human BACE-1 bound to Compound 24B
分子名称: (4aR,8aS)-8a-(2,4-difluorophenyl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1
著者Vajdos, F.F, Parris, K.
登録日2014-11-14
公開日2015-03-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design.
J.Med.Chem., 58, 2015
2A7U
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BU of 2a7u by Molmil
NMR solution structure of the E.coli F-ATPase delta subunit N-terminal domain in complex with alpha subunit N-terminal 22 residues
分子名称: ATP synthase alpha chain, ATP synthase delta chain
著者Wilkens, S, Borchardt, D, Weber, J, Senior, A.E.
登録日2005-07-06
公開日2005-10-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural Characterization of the Interaction of the delta and alpha Subunits of the Escherichia coli F(1)F(0)-ATP Synthase by NMR Spectroscopy
Biochemistry, 44, 2005
7EXK
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BU of 7exk by Molmil
An AA9 LPMO of Ceriporiopsis subvermispora
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nguyen, H, Kondo, K, Nagata, T, Katahira, M, Mikami, B.
登録日2021-05-27
公開日2022-05-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Functional and Structural Characterizations of Lytic Polysaccharide Monooxygenase, Which Cooperates Synergistically with Cellulases, from Ceriporiopsis subvermispora.
Acs Sustain Chem Eng, 10, 2022
6KYJ
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BU of 6kyj by Molmil
Hybrid-Rubisco (rice RbcL and sorghum RbcS) in complex with sulfate ions
分子名称: GLYCEROL, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, ...
著者Matsumura, H, Yoshizawa, T, Tanaka, S, Yoshikawa, H.
登録日2019-09-19
公開日2020-09-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Hybrid Rubisco with Complete Replacement of Rice Rubisco Small Subunits by Sorghum Counterparts Confers C 4 Plant-like High Catalytic Activity.
Mol Plant, 13, 2020
4X7E
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BU of 4x7e by Molmil
Crystal structure of norovirus GII.10 P domain in complex with Nano-85
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Capsid protein, ...
著者Hansman, G.H, Koromyslova, A.D.
登録日2014-12-09
公開日2014-12-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Nanobody binding to a conserved epitope promotes norovirus particle disassembly.
J.Virol., 89, 2015
6KZN
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BU of 6kzn by Molmil
Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2
分子名称: 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Wachino, J.
登録日2019-09-24
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sulfamoyl Heteroarylcarboxylic Acids as Promising Metallo-beta-Lactamase Inhibitors for Controlling Bacterial Carbapenem Resistance.
Mbio, 11, 2020
1BRS
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BU of 1brs by Molmil
PROTEIN-PROTEIN RECOGNITION: CRYSTAL STRUCTURAL ANALYSIS OF A BARNASE-BARSTAR COMPLEX AT 2.0-A RESOLUTION
分子名称: BARNASE, BARSTAR
著者Buckle, A.M, Schreiber, G, Fersht, A.R.
登録日1994-03-11
公開日1994-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Protein-protein recognition: crystal structural analysis of a barnase-barstar complex at 2.0-A resolution.
Biochemistry, 33, 1994
8JUW
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BU of 8juw by Molmil
Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATPase family AAA domain-containing protein 2
著者Cho, C, Song, J.
登録日2023-06-27
公開日2023-10-18
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.79 Å)
主引用文献Structure of the human ATAD2 AAA+ histone chaperone reveals mechanism of regulation and inter-subunit communication.
Commun Biol, 6, 2023
1BTX
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BU of 1btx by Molmil
Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected by Binding or Chemistry on an Enzyme Surface
分子名称: BETA-TRYPSIN, CALCIUM ION, N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide
著者Stroud, R.M, Katz, B.A, Finer-Moore, J.
登録日1995-05-17
公開日1995-10-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface.
Biochemistry, 34, 1995
4X00
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BU of 4x00 by Molmil
X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-11-20
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia
to be published
6F4W
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BU of 6f4w by Molmil
Crystal structure of H. pylori purine nucleoside phosphorylase in complex with formycin A
分子名称: (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, Purine nucleoside phosphorylase DeoD-type
著者Stefanic, Z.
登録日2017-11-30
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.293 Å)
主引用文献Helicobacter pylori purine nucleoside phosphorylase shows new distribution patterns of open and closed active site conformations and unusual biochemical features.
FEBS J., 285, 2018
7COV
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BU of 7cov by Molmil
Potato D-enzyme, native (substrate free)
分子名称: 4-alpha-glucanotransferase, chloroplastic/amyloplastic, CALCIUM ION, ...
著者Unno, H, Imamura, K.
登録日2020-08-05
公開日2020-08-26
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
6UOL
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BU of 6uol by Molmil
Y271G DNA polymerase beta substrate complex with a templating cytosine and incoming rGTP
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Smith, M.R, Freudenthal, B.D.
登録日2019-10-15
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.936 Å)
主引用文献Molecular and structural characterization of oxidized ribonucleotide insertion into DNA by human DNA polymerase beta.
J.Biol.Chem., 295, 2020
4X0V
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BU of 4x0v by Molmil
Structure of a GH5 family lichenase from Caldicellulosiruptor sp. F32
分子名称: Beta-1,3-1,4-glucanase
著者Meng, D, Liu, X, Wang, X, Li, F, Feng, Y.
登録日2014-11-24
公開日2015-11-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.798 Å)
主引用文献Structural Insights into the Substrate Specificity of a Glycoside Hydrolase Family 5 Lichenase from Caldicellulosiruptor sp. F32
Biochem. J., 2017
4NG3
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BU of 4ng3 by Molmil
Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
分子名称: 1,2-ETHANEDIOL, 4-hydroxy-3-methoxy-5-nitrobenzoic acid, 5-carboxyvanillate decarboxylase, ...
著者Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C.
登録日2013-11-01
公開日2013-11-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Crystal structure of 5-carboxyvanillate decarboxylase from Sphingomonas paucimobilis complexed with 4-Hydroxy-3-methoxy-5-nitrobenzoic acid
To be Published
5OA3
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BU of 5oa3 by Molmil
Human 40S-eIF2D-re-initiation complex
分子名称: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
著者Weisser, M, Schaefer, T, Leibundgut, M, Boehringer, D, Aylett, C.H.S, Ban, N.
登録日2017-06-20
公開日2017-08-09
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural and Functional Insights into Human Re-initiation Complexes.
Mol. Cell, 67, 2017
6L8L
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BU of 6l8l by Molmil
C-Src in complex with ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src
著者Guo, M, Dai, S, Chen, L, Chen, Y.
登録日2019-11-06
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.888 Å)
主引用文献Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases.
Bioorg.Med.Chem.Lett., 34, 2020
5VPX
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BU of 5vpx by Molmil
I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
分子名称: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-06
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
4NMM
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BU of 4nmm by Molmil
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
分子名称: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
登録日2013-11-15
公開日2014-06-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014

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