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8RPH
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BU of 8rph by Molmil
JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP
分子名称: (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
著者Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
登録日2024-01-16
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献JhE from Janthinobacterium sp. HH01
To Be Published
8RUJ
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BU of 8ruj by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking
分子名称: 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ...
著者Silvestri, I, Marcia, M.
登録日2024-01-30
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
8S45
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BU of 8s45 by Molmil
CdaA-E05 complex
分子名称: (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol, Diadenylate cyclase
著者Neumann, P, Ficner, R.
登録日2024-02-21
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献CdaA-E05 complex
To Be Published
2Y6M
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BU of 2y6m by Molmil
Crystal structure of EphA4 kinase domain
分子名称: EPHRIN TYPE-A RECEPTOR 4, GLYCEROL
著者Farenc, C.J.A, Celie, P.H.N, Siegal, G.
登録日2011-01-25
公開日2011-11-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Epha4 Protein Tyrosine Kinase Domain in the Apo- and Dasatinib-Bound State.
FEBS Lett., 585, 2011
8RUL
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BU of 8rul by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+ and Mg2+
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, MAGNESIUM ION
著者Silvestri, I, Marcia, M.
登録日2024-01-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
2Y90
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BU of 2y90 by Molmil
Crystal structure of Hfq riboregulator from E. coli (P6 space group)
分子名称: PROTEIN HFQ
著者Basquin, J, Sauter, C.
登録日2011-02-11
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Exploiting Protein Engineering and Crystal Polymorphism for Successful X-Ray Structure Determination
Cryst. Growth Des., 11, 2011
8S48
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BU of 8s48 by Molmil
CdaA-C11 complex
分子名称: 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, Diadenylate cyclase
著者Neumann, P, Ficner, R.
登録日2024-02-21
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献CdaA-C11 complex
To Be Published
8S0N
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BU of 8s0n by Molmil
Crystal structure of the TMPRSS2 zymogen in complex with the nanobody A07
分子名称: Transmembrane protease serine 2, nanobody A07
著者Duquerroy, S, Fernandez, I, Rey, F.
登録日2024-02-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into TMPRSS2 maturation and HKU1 binding
To Be Published
2YAA
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BU of 2yaa by Molmil
Crystal structure of the autoinhibited form of mouse DAPK2 in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DEATH-ASSOCIATED PROTEIN KINASE 2, ...
著者Patel, A.K, Kursula, P.
登録日2011-02-18
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the Dimeric Autoinhibited Conformation of Dapk2, a Pro-Apoptotic Protein Kinase.
J.Mol.Biol., 409, 2011
8SC9
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BU of 8sc9 by Molmil
Structure of PPARG in complex with MTX-531
分子名称: N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
著者Whitehead, C.E, Leopold, J.
登録日2023-04-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.855 Å)
主引用文献Structure of PPARG in complex with MTX-531
To Be Published
2YE3
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BU of 2ye3 by Molmil
HSP90 inhibitors and drugs from fragment and virtual screening
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL VANILLATE
著者Roughley, S.D, Hubbard, R.E, Baker, L.M.
登録日2011-03-25
公開日2011-06-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
8S4B
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BU of 8s4b by Molmil
CdaA-C08 complex
分子名称: (4-methoxycarbonylphenyl)methylazanium, Diadenylate cyclase
著者Neumann, P, Ficner, R.
登録日2024-02-21
公開日2024-06-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献CdaA-C08 complex
To Be Published
8SFJ
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BU of 8sfj by Molmil
WT CRISPR-Cas12a with a 10bp R-loop
分子名称: CRISPR-associated endonuclease Cas12a, DNA (5'-D(P*CP*AP*CP*TP*TP*AP*TP*CP*AP*CP*TP*AP*AP*AP*AP*GP*AP*TP*CP*GP*GP*AP*AP*G)-3'), DNA (5'-D(P*CP*TP*TP*CP*CP*GP*AP*TP*CP*TP*TP*TP*TP*AP*GP*TP*GP*AP*T)-3'), ...
著者Strohkendl, I, Taylor, D.W.
登録日2023-04-11
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献WT CRISPR-Cas12a with a 10bp R-loop
To Be Published
2YFX
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BU of 2yfx by Molmil
Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib
分子名称: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
著者McTigue, M, Deng, Y, Liu, W, Brooun, A.
登録日2011-04-08
公開日2011-05-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib.
J.Med.Chem., 57, 2014
8S1P
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BU of 8s1p by Molmil
YlmH bound to PtRNA-50S
分子名称: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
著者Paternoga, H, Dimitrova-Paternoga, L, Wilson, D.N.
登録日2024-02-15
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (1.96 Å)
主引用文献A role for the S4-domain containing protein YlmH in ribosome-associated quality control in Bacillus subtilis.
Nucleic Acids Res., 2024
8SE7
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BU of 8se7 by Molmil
HTRA-1 PDSA bound to CKP 1A8
分子名称: Cysteine knot peptide, Serine protease HTRA1
著者Ultsch, M.H, Kirchhofer, D, Wei, Y.
登録日2023-04-08
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献HTRA-1 PDSA bound to CKP 1A8
To Be Published
4FFN
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BU of 4ffn by Molmil
PylC in complex with D-ornithine and AMPPNP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, D-ORNITHINE, MAGNESIUM ION, ...
著者Quitterer, F, List, A, Beck, P, Bacher, A, Groll, M.
登録日2012-06-01
公開日2012-09-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biosynthesis of the 22nd genetically encoded amino acid pyrrolysine: structure and reaction mechanism of PylC at 1.5A resolution.
J.Mol.Biol., 424, 2012
2YIZ
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BU of 2yiz by Molmil
X-ray structure of Mycobacterium tuberculosis Dodecin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, COENZYME A, ...
著者Vinzenz, X, Grosse, W, Linne, U, Meissner, B, Essen, L.-O.
登録日2011-05-17
公開日2011-10-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chemical Engineering of Mycobacterium Tuberculosis Dodecin Hybrids.
Chem.Commun.(Camb.), 47, 2011
2YJK
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BU of 2yjk by Molmil
Structure of Dps from MICROBACTERIUM ARBORESCENS in the high iron form
分子名称: AFP, FE (III) ION, Iron(II) oxide
著者Zeth, K, Buecheler, R, Boland, W.
登録日2011-05-19
公開日2011-06-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Mechanism of Iron Translocation by a Dps Protein from Microbacterium Arborescens.
J.Biol.Chem., 286, 2011
8RUN
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BU of 8run by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and ARN25850
分子名称: 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Domains 1-5, ...
著者Silvestri, I, Marcia, M.
登録日2024-01-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.73 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
2YOL
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BU of 2yol by Molmil
West Nile Virus NS2B-NS3 protease in complex with 3,4- dichlorophenylacetyl-Lys-Lys-GCMA
分子名称: (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide, CHLORIDE ION, NICKEL (II) ION, ...
著者Hammamy, M.Z, Haase, C, Hammami, M, Hilgenfeld, R, Steinmetzer, T.
登録日2012-10-25
公開日2013-03-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus Ns2B-Ns3 Protease.
Chemmedchem, 8, 2013
8SFQ
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BU of 8sfq by Molmil
WT CRISPR-Cas12a post nontarget strand-cleavage with the the RuvC active site exposed.
分子名称: CRISPR-associated endonuclease Cas12a, DNA (34-MER), DNA (5'-D(P*CP*TP*TP*CP*CP*GP*AP*TP*CP*TP*TP*TP*TP*AP*GP*TP*GP*AP*T)-3'), ...
著者Strohkendl, I, Taylor, D.W.
登録日2023-04-11
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献WT CRISPR-Cas12a post nontarget strand-cleavage with the the RuvC active site exposed.
To Be Published
2YAW
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BU of 2yaw by Molmil
HG INHIBITED SULFUR OXYGENASE REDUCTASE
分子名称: ACETATE ION, FE (III) ION, MERCURY (II) ION, ...
著者Veith, A, Urich, T, Seyfarth, K, Protze, J, Frazao, C, Kletzin, A.
登録日2011-02-25
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Substrate Pathways and Mechanisms of Inhibition in the Sulfur Oxygenase Reductase of Acidianus Ambivalens.
Front.Microbiol., 2, 2011
8SDM
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BU of 8sdm by Molmil
HTRA-1 PDSA bound to CKP 3B3
分子名称: Cysteine-containing peptide 3B3, Serine protease HTRA1
著者Ultsch, M.H, Kirchhofer, D, Wei, Y.
登録日2023-04-07
公開日2024-07-03
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献HTRA-1 PDSA bound to CKP 3B3
To Be Published
8RUM
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BU of 8rum by Molmil
Structure of Oceanobacillus iheyensis group II intron in the presence of Li+, Mg2+, and intronistat B
分子名称: Domains 1-5, MAGNESIUM ION, ~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
著者Silvestri, I, Marcia, M.
登録日2024-01-31
公開日2024-06-19
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024

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件を2024-07-10に公開中

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