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4X36
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BU of 4x36 by Molmil
Crystal structure of the autolysin LytA from Streptococcus pneumoniae TIGR4
分子名称: Autolysin, CHOLINE ION, GLYCEROL, ...
著者Cheng, W, Li, Q, Zhou, C.Z, Chen, Y.X.
登録日2014-11-28
公開日2015-05-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Full-length structure of the major autolysin LytA.
Acta Crystallogr.,Sect.D, 71, 2015
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
6LC5
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BU of 6lc5 by Molmil
Crystal structure of barley exohydrolaseI W434F in complex with 4'-nitrophenyl thiolaminaribioside
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Luang, S, Streltsov, V.A, Hrmova, M.
登録日2019-11-17
公開日2020-09-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
5VQN
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BU of 5vqn by Molmil
E119D 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2017-05-09
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.002 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
7CP0
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BU of 7cp0 by Molmil
Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase
分子名称: 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ...
著者Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J.
登録日2020-08-05
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors.
Int.J.Biol.Macromol., 170, 2020
5TS0
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BU of 5ts0 by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208
分子名称: (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta
著者Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
登録日2016-10-27
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.84679747 Å)
主引用文献Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
2W93
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Crystal structure of the Saccharomyces cerevisiae pyruvate decarboxylase variant E477Q in complex with the surrogate pyruvamide
分子名称: (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate, MAGNESIUM ION, PYRUVATE DECARBOXYLASE ISOZYME 1, ...
著者Kutter, S, Weiss, M.S, Konig, S.
登録日2009-01-21
公開日2009-02-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Allosteric Activation of Pyruvate Decarboxylases. A Never-Ending Story.
J.Mol.Catal., B Enzym., 61, 2014
4NT0
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BU of 4nt0 by Molmil
Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate
分子名称: 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Fedorov, A.A, Fedorov, E.V, Iiams, V, Gerlt, J.A, Almo, S.C.
登録日2013-11-29
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 3-deazauridine 5'-monophosphate
To be Published
5TRS
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BU of 5trs by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144
分子名称: N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta
著者Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
登録日2016-10-27
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.083567 Å)
主引用文献Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
4YKR
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BU of 4ykr by Molmil
Heat Shock Protein 90 Bound to CS302
分子名称: 1-(2,4-dihydroxy-5-propylphenyl)-1,3-dihydro-2H-benzimidazol-2-one, GLYCEROL, Heat shock protein HSP 90-alpha
著者Kang, Y.N, Stuckey, J.A.
登録日2015-03-04
公開日2016-03-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structure of Heat Shock Protein 90 Bound to CS302
To Be Published
6R1L
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BU of 6r1l by Molmil
Crystal structure of LmrR with bound copper phenanthroline
分子名称: 1,10-PHENANTHROLINE, COPPER (II) ION, Transcriptional regulator, ...
著者Reddem, R, Thunnissen, A.M.W.H.
登録日2019-03-14
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.
Acs Catalysis, 10, 2020
9JHY
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BU of 9jhy by Molmil
3-Hydroxybutyryl-CoA dehydrogenase mutant (S117A) with acetoacetyl CoA
分子名称: 3-hydroxyacyl-CoA dehydrogenase, NAD binding domain protein, ACETOACETYL-COENZYME A
著者Yang, J.W, Jeon, H.J, Park, S.H, Jang, S.H, Park, J.A, Kim, S.H, Hwang, K.Y.
登録日2024-09-10
公開日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights and Catalytic Mechanism of 3-Hydroxybutyryl-CoA Dehydrogenase from Faecalibacterium Prausnitzii A2-165.
Int J Mol Sci, 25, 2024
6ANP
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BU of 6anp by Molmil
CAT192 Fab Insertion Mutant H5/L0
分子名称: CAT192 Fab Heavy chain, CAT192 Fab Light chain
著者Lord, D.M, Wei, R.R.
登録日2017-08-14
公開日2018-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based engineering to restore high affinity binding of an isoform-selective anti-TGF beta 1 antibody.
MAbs, 10, 2018
9JHE
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BU of 9jhe by Molmil
3-hydroxybutyryl-CoA dehydrogenase with NAD
分子名称: 3-hydroxyacyl-CoA dehydrogenase, NAD binding domain protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Park, J.A, Yang, J.W, Park, S.H, Kim, S.H, Hwang, K.Y.
登録日2024-09-09
公開日2024-11-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Insights and Catalytic Mechanism of 3-Hydroxybutyryl-CoA Dehydrogenase from Faecalibacterium Prausnitzii A2-165.
Int J Mol Sci, 25, 2024
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
分子名称: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
著者Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
5JNV
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BU of 5jnv by Molmil
Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase
著者Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N.
登録日2016-04-30
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
分子名称: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
著者Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
登録日2009-08-27
公開日2009-10-20
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
5AHT
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BU of 5aht by Molmil
Third WW domain from the E3 ubiquitin-protein ligase NEDD4
分子名称: E3 UBIQUITIN-PROTEIN LIGASE NEDD4
著者Panwalkar, V, Lecher, J, Dingley, A.
登録日2015-02-09
公開日2016-01-27
最終更新日2024-01-31
実験手法SOLUTION NMR
主引用文献The Nedd4-1 Ww Domain Recognizes the Py Motif Peptide Through Coupled Folding and Binding Equilibria.
Biochemistry, 55, 2016
6F00
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BU of 6f00 by Molmil
Crystal Structure of human tRNA dihydrouridine synthase (20) dsRBD E423A mutant
分子名称: GLYCEROL, SULFATE ION, tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
著者Charles, B.N, Djemel, H.
登録日2017-11-17
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.163 Å)
主引用文献Crystal Structure of human tRNA-dihydrouridine(20) synthase dsRBD E423A mutant
To Be Published
8S6S
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BU of 8s6s by Molmil
Oxidoreductase from Phytophthora sojae
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ...
著者Banerjee, S, Turella, S, Morth, J.P, Abou Hachem, M.
登録日2024-02-28
公開日2025-03-12
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Enzymatic oxidation of galacturonides from pectin breakdown contributes to stealth infection by Oomycota phytopathogens.
Nat Commun, 16, 2025
4YVG
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BU of 4yvg by Molmil
Crystal Structure of H. influenzae TrmD in complex with AdoMet
分子名称: S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
著者Ito, T, Yokoyama, S.
登録日2015-03-20
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structural basis for methyl-donor-dependent and sequence-specific binding to tRNA substrates by knotted methyltransferase TrmD.
Proc.Natl.Acad.Sci.USA, 112, 2015
4ACZ
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BU of 4acz by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
分子名称: ENDO-ALPHA-MANNOSIDASE, GLYCEROL
著者Thompson, A.J, Williams, R.J, Hakki, Z, Alonzi, D.S, Wennekes, T, Gloster, T.M, Songsrirote, K, Thomas-Oates, J.E, Wrodnigg, T.M, Spreitz, J, Stuetz, A.E, Butters, T.D, Williams, S.J, Davies, G.J.
登録日2011-12-21
公開日2012-02-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural and Mechanistic Insight Into N-Glycan Processing by Endo-Alpha-Mannosidase.
Proc.Natl.Acad.Sci.USA, 109, 2012
9J4X
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BU of 9j4x by Molmil
CryoEM structure of human XPR1 in apo state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Solute carrier family 53 member 1
著者Zhang, W.H, Chen, Y.K, Guan, Z.Y, Liu, Z.
登録日2024-08-10
公開日2024-12-04
最終更新日2025-07-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into the mechanism of phosphate recognition and transport by XPR1.
Nat Commun, 16, 2025
5A4J
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BU of 5a4j by Molmil
Crystal structure of FTHFS1 from T.acetoxydans Re1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, D(-)-TARTARIC ACID, ...
著者Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M.
登録日2015-06-10
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published
9J61
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Crystal structure of a cyclodipeptide synthase from Streptomyces sapporonensis
分子名称: 1,2-ETHANEDIOL, Cyclodipeptide synthase, DI(HYDROXYETHYL)ETHER, ...
著者Li, P, Ren, Y, He, J, Wu, S, Wang, J, Tang, G, Fang, P.
登録日2024-08-14
公開日2024-12-04
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure and Mutagenesis of an XYP Subfamily Cyclodipeptide Synthase Reveal Key Determinants of Enzyme Activity and Substrate Specificity.
Biochemistry, 63, 2024

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