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5SXT
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BU of 5sxt by Molmil
Crystal structure of the S324T variant of Burkholderia pseudomallei KatG with isonicotinic acid hydrazide bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
著者Loewen, P.C.
登録日2016-08-10
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
5UEY
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BU of 5uey by Molmil
BRD4_BD2_A-1412838
分子名称: 5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5VBX
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BU of 5vbx by Molmil
Crystal structure of holo-[acyl-carrier-protein] synthase (AcpS) from Escherichia coli
分子名称: 1,2-ETHANEDIOL, Holo-[acyl-carrier-protein] synthase, SODIUM ION
著者Marcella, A.M, Barb, A.W.
登録日2017-03-30
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure, High Affinity, and Negative Cooperativity of the Escherichia coli Holo-(Acyl Carrier Protein):Holo-(Acyl Carrier Protein) Synthase Complex.
J. Mol. Biol., 429, 2017
5V8Z
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BU of 5v8z by Molmil
Crystal structure of ERp29 D-domain in complex with the P-domain of calmegin
分子名称: Calmegin, Endoplasmic reticulum resident protein 29
著者Kozlov, G, Munoz-Escobar, J, Gehring, K.
登録日2017-03-22
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Mapping the ER Interactome: The P Domains of Calnexin and Calreticulin as Plurivalent Adapters for Foldases and Chaperones.
Structure, 25, 2017
5UVD
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BU of 5uvd by Molmil
Crystal structure of an antigenic nucleotidyltransferase-like protein from Paracoccidioides brasiliensis
分子名称: MAGNESIUM ION, Nucleotidyltransferase-like protein
著者Nagem, R.A.P, Costa, M.A.F, Rodrigues, F.T.G, Coitinho, J.B.C.
登録日2017-02-20
公開日2018-01-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural and immunological characterization of a new nucleotidyltransferase-like antigen from Paracoccidioides brasiliensis.
Mol.Immunol., 112, 2019
5UP5
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BU of 5up5 by Molmil
Solution structure of the de novo mini protein EHEE_rd1_0284
分子名称: EHEE_rd1_0284
著者Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
5V3I
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BU of 5v3i by Molmil
Crystal structure of the VS ribozyme - wild-type C634
分子名称: VS Ribozyme RNA
著者DasGupta, S, Suslov, N.B, Piccirilli, J.A.
登録日2017-03-07
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.293 Å)
主引用文献Structural Basis for Substrate Helix Remodeling and Cleavage Loop Activation in the Varkud Satellite Ribozyme.
J. Am. Chem. Soc., 139, 2017
5V90
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BU of 5v90 by Molmil
Crystal structure of ERp29 D-domain in complex with the P-domain of calreticulin
分子名称: Calreticulin, Endoplasmic reticulum resident protein 29, GLYCEROL
著者Kozlov, G, Munoz-Escobar, J, Gehring, K.
登録日2017-03-22
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.255 Å)
主引用文献Mapping the ER Interactome: The P Domains of Calnexin and Calreticulin as Plurivalent Adapters for Foldases and Chaperones.
Structure, 25, 2017
5VA9
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BU of 5va9 by Molmil
Human pancreatic alpha amylase in complex with peptide inhibitor piHA-L5(d10Y)
分子名称: CALCIUM ION, CHLORIDE ION, Pancreatic alpha-amylase, ...
著者Caner, S, Brayer, G.D.
登録日2017-03-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
5T7L
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BU of 5t7l by Molmil
Pt(II)-mediated copper-dependent interactions between ATOX1 and MNK1
分子名称: COPPER (II) ION, Copper transport protein ATOX1, Copper-transporting ATPase 1, ...
著者Caliandro, R, Mirabelli, V, Caliandro, R, Rosato, A, Lasorsa, A, Galliani, A, Arnesano, F, Natile, G.
登録日2016-09-05
公開日2016-10-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Mechanistic and Structural Basis for Inhibition of Copper Trafficking by Platinum Anticancer Drugs.
J.Am.Chem.Soc., 141, 2019
5T7Q
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BU of 5t7q by Molmil
TIRAP phosphoinositide-binding motif
分子名称: Toll/interleukin-1 receptor domain-containing adapter protein
著者Capelluto, D.G.S, Ellena, J.F, Armstrong, G, Zhao, X, Xiao, S.
登録日2016-09-05
公開日2017-03-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Membrane targeting of TIRAP is negatively regulated by phosphorylation in its phosphoinositide-binding motif.
Sci Rep, 7, 2017
5T0R
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BU of 5t0r by Molmil
Synaptotagmin 1 C2A domain, cadmium-bound
分子名称: CADMIUM ION, Synaptotagmin-1
著者Taylor, A.B, Hart, P.J, Igumenova, T.I.
登録日2016-08-16
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T0S
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BU of 5t0s by Molmil
Synaptotagmin 1 C2B domain, cadmium-bound
分子名称: CADMIUM ION, SODIUM ION, Synaptotagmin-1
著者Taylor, A.B, Hart, P.J, Igumenova, T.I.
登録日2016-08-16
公開日2017-06-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions.
Biochemistry, 56, 2017
5T2Z
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BU of 5t2z by Molmil
Crystal Structure of Multi-drug Resistant HIV-1 Protease PR-S17 in Complex with Darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease
著者Agniswamy, J, Weber, I.T.
登録日2016-08-24
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Studies of a Rationally Selected Multi-Drug Resistant HIV-1 Protease Reveal Synergistic Effect of Distal Mutations on Flap Dynamics.
PLoS ONE, 11, 2016
5UEW
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BU of 5uew by Molmil
BRD2 Bromodomain2 with A-1360579
分子名称: Bromodomain-containing protein 2, N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5TWI
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BU of 5twi by Molmil
Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
分子名称: Cyclic tetrapeptide ALA-ARG-ALA-UN1
著者Hoang, H.N, Fairlie, D.P.
登録日2016-11-13
公開日2016-12-14
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
To Be Published
5TXJ
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BU of 5txj by Molmil
Polymorphic form 1 of amyloid-beta derived peptide - IFAEDV
分子名称: amyloid-beta derived peptide
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
5UI0
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BU of 5ui0 by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring an E565A/K659M Double Gain-of-Function Mutation
分子名称: CITRATE ANION, Fibroblast growth factor receptor 2, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Mohammadi, M, Chen, H.
登録日2017-01-12
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5TPB
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BU of 5tpb by Molmil
Binding domain of BoNT/A complexed with ganglioside variant
分子名称: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
著者Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
登録日2016-10-20
公開日2017-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5VR4
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BU of 5vr4 by Molmil
RNA octamer containing 2'-F-4'-OMe U.
分子名称: COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3')
著者Harp, J.M, Egli, M.
登録日2017-05-10
公開日2017-10-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
J. Am. Chem. Soc., 139, 2017
5VL6
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BU of 5vl6 by Molmil
Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
分子名称: Peptide 38138
著者Bermudez, A, Patarroyo, M.E.
登録日2017-04-25
公開日2018-09-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
To Be Published
5VFF
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BU of 5vff by Molmil
Synaptotagmin 1 C2B domain, lead-bound (low occupancy)
分子名称: LEAD (II) ION, Synaptotagmin-1
著者Taylor, A.B, Hart, P.J, Igumenova, T.I.
登録日2017-04-07
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献High affinity interactions of Pb2+with synaptotagmin I.
Metallomics, 10, 2018
5UJL
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BU of 5ujl by Molmil
Representative 1-conformer ensembles of K27-linked Ub2 from RDC data
分子名称: Ubiquitin
著者Castaneda, C.A, Fushman, D.
登録日2017-01-18
公開日2017-10-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins.
Structure, 24, 2016
5UJN
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BU of 5ujn by Molmil
Representative 2-conformer ensembles of K27-linked Ub2 from RDC data
分子名称: Ubiquitin
著者Castaneda, C.A, Fushman, D.
登録日2017-01-18
公開日2018-08-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Linkage via K27 Bestows Ubiquitin Chains with Unique Properties among Polyubiquitins.
Structure, 24, 2016
5V2B
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BU of 5v2b by Molmil
Peptide 38148 modified from fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)
分子名称: Thrombospondin-related sporozoite protein
著者Bermudez, A, Patarroyo, M.E.
登録日2017-03-03
公開日2018-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Peptide 38148 modified from fragment 41-60 of Plasmodium falciparum Thrombospondin-Related Sporozoite Protein (TRSP)
To Be Published

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