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7N1F
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BU of 7n1f by Molmil
SARS-CoV-2 YLQ peptide-specific TCR pYLQ7 binds to YLQ-HLA-A2
分子名称: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ...
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
7N1D
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BU of 7n1d by Molmil
SARS-CoV-2 YLQ peptide-specific TCR pYLQ7
分子名称: pYLQ7 T cell receptor alpha chain, pYLQ7 T cell receptor beta chain
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
3NM1
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BU of 3nm1 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
分子名称: 2-TRIFLUOROMETHYL-5-METHYLENE-5H-PYRIMIDIN-4-YLIDENEAMINE, 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, MAGNESIUM ION, ...
著者Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
登録日2010-06-21
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.211 Å)
主引用文献Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
7N1E
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BU of 7n1e by Molmil
SARS-CoV-2 RLQ peptide-specific TCR pRLQ3 binds to RLQ-HLA-A2
分子名称: Beta-2-microglobulin, MHC class I antigen, A-2 alpha chain, ...
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
7N1C
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BU of 7n1c by Molmil
SARS-CoV-2 RLQ peptide-specific TCR pRLQ3
分子名称: pRLQ3 T cell receptor alpha chain, pRLQ3 T cell receptor beta chain
著者Wu, D, Mariuzza, R.A.
登録日2021-05-27
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Structural assessment of HLA-A2-restricted SARS-CoV-2 spike epitopes recognized by public and private T-cell receptors.
Nat Commun, 13, 2022
5F6D
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BU of 5f6d by Molmil
Crystal structure of Ubc9 (K48A/K49A/E54A) complexed with Fragment 6
分子名称: 6~{H}-benzo[c][1,2]benzothiazine 5,5-dioxide, SUMO-conjugating enzyme UBC9
著者Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
登録日2015-12-05
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
3NGK
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BU of 3ngk by Molmil
PduA from Salmonella enterica Typhimurium
分子名称: Propanediol utilization protein pduA
著者Crowley, C.S, Cascio, D, Sawaya, M.R, Yeates, T.O.
登録日2010-06-11
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2608 Å)
主引用文献Structural Insight into the Mechanisms of Transport across the Salmonella enterica Pdu Microcompartment Shell.
J.Biol.Chem., 285, 2010
5EXA
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BU of 5exa by Molmil
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, Fusicoccin A-THF derivative, ...
著者Bier, D, Ottmann, C.
登録日2015-11-23
公開日2016-05-04
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
5F6I
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BU of 5f6i by Molmil
Crystal Structure of Tier 2 Neutralizing Antibody DH428 from a Rhesus Macaque
分子名称: DH428 Antibody Heavy Chain, DH428 Antibody Light Chain
著者Fera, D, Harrison, S.C.
登録日2015-12-06
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural Constraints of Vaccine-Induced Tier-2 Autologous HIV Neutralizing Antibodies Targeting the Receptor-Binding Site.
Cell Rep, 14, 2016
5F24
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BU of 5f24 by Molmil
Crystal structure of dual specific IMPase/NADP phosphatase bound with D-inositol-1-phosphate
分子名称: CALCIUM ION, CHLORIDE ION, D-MYO-INOSITOL-1-PHOSPHATE, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2015-12-01
公開日2015-12-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
1BEV
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BU of 1bev by Molmil
BOVINE ENTEROVIRUS VG-5-27
分子名称: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4, MYRISTIC ACID, SULFATE ION
著者Smyth, M, Tate, J, Lyons, C, Hoey, E, Martin, S, Stuart, D.
登録日1996-04-03
公開日1998-09-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Implications for viral uncoating from the structure of bovine enterovirus.
Nat.Struct.Biol., 2, 1995
5F15
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BU of 5f15 by Molmil
Crystal Structure of ArnT from Cupriavidus metallidurans bound to Undecaprenyl phosphate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose (L-Ara4N) transferase, CHLORIDE ION, ...
著者Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2015-11-30
公開日2016-02-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
5F5F
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BU of 5f5f by Molmil
X-ray structure of Roquin ROQ domain in complex with a Selex-derived hexa-loop RNA motif
分子名称: RNA (5'-R(P*UP*GP*AP*CP*UP*GP*CP*GP*UP*UP*UP*UP*AP*GP*GP*AP*GP*UP*UP*A)-3'), Roquin-1
著者Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
登録日2015-12-04
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40.
Nat Commun, 7, 2016
5F6W
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BU of 5f6w by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol)
分子名称: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9
著者Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
登録日2015-12-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.699 Å)
主引用文献Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EZZ
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BU of 5ezz by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine
分子名称: (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Banner, D, Benz, J, Stihle, M, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2016-05-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5EW8
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BU of 5ew8 by Molmil
FIBROBLAST GROWTH FACTOR RECEPTOR 1 IN COMPLEX WITH JNJ-4275693
分子名称: Fibroblast growth factor receptor 1, SULFATE ION, ~{N}'-(3,5-dimethoxyphenyl)-~{N}'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-~{N}-propan-2-yl-ethane-1,2-diamine
著者Ogg, D, Breed, J.
登録日2015-11-20
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Landscape of activating cancer mutations in FGFR kinases and their differential responses to inhibitors in clinical use.
Oncotarget, 7, 2016
5EWZ
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BU of 5ewz by Molmil
Small-molecule stabilization of the 14-3-3/Gab2 PPI interface
分子名称: 14-3-3 protein zeta/delta, BENZOIC ACID, GRB2-associated-binding protein 2
著者Bier, D, Ottmann, C.
登録日2015-11-23
公開日2016-05-04
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Small-Molecule Stabilization of the 14-3-3/Gab2 Protein-Protein Interaction (PPI) Interface.
Chemmedchem, 11, 2016
5EYH
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BU of 5eyh by Molmil
Crystal Structure of IMPase/NADP phosphatase complexed with NADP and Ca2+ at pH 7.0
分子名称: CALCIUM ION, GLYCEROL, Inositol monophosphatase, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2015-11-25
公開日2015-12-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016
3NEQ
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BU of 3neq by Molmil
Crystal structure of the chimeric muscarinic toxin MT7 with loop 3 from MT1
分子名称: SULFATE ION, Three-finger muscarinic toxin 7
著者Stura, E.A, Servent, D, Menez, R, Mournier, G, Menez, A, Fruchart-Gaillard, C.
登録日2010-06-09
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Engineering of three-finger fold toxins creates ligands with original pharmacological profiles for muscarinic and adrenergic receptors.
Plos One, 7, 2012
3NL5
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BU of 3nl5 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
分子名称: 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
登録日2010-06-21
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
1BFD
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BU of 1bfd by Molmil
BENZOYLFORMATE DECARBOXYLASE FROM PSEUDOMONAS PUTIDA
分子名称: BENZOYLFORMATE DECARBOXYLASE, CALCIUM ION, MAGNESIUM ION, ...
著者Hasson, M.S, Muscate, A, Mcleish, M.J, Polovnikova, L.S, Gerlt, J.A, Kenyon, G.L, Petsko, G.A, Ringe, D.
登録日1998-04-30
公開日1998-06-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of benzoylformate decarboxylase at 1.6 A resolution: diversity of catalytic residues in thiamin diphosphate-dependent enzymes.
Biochemistry, 37, 1998
5F03
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BU of 5f03 by Molmil
TRYPTASE B2 IN COMPLEX WITH 5-(3-Aminomethyl-phenoxymethyl)-3-[3-(2-chloro-pyridin-3-ylethynyl)-phenyl]-oxazolidin-2-one; compound with trifluoro-acetic acid
分子名称: (5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one, Tryptase beta-2
著者Banner, D, Benz, J, Joseph, C, Kuglstatter, A.
登録日2015-11-27
公開日2016-02-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5F6V
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BU of 5f6v by Molmil
Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen)
分子名称: 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9
著者Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S.
登録日2015-12-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.492 Å)
主引用文献Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EXZ
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BU of 5exz by Molmil
Crystal structure of purified recombinant CPV1 Polyhedra
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Boudes, M, Garriga, D, Coulibaly, F.
登録日2015-11-24
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A pipeline for structure determination of in vivo-grown crystals using in cellulo diffraction.
Acta Crystallogr D Struct Biol, 72, 2016
5EYG
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BU of 5eyg by Molmil
Crystal structure of IMPase/NADP phosphatase complexed with NADP and Ca2+
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, CHLORIDE ION, ...
著者Bhattacharyya, S, Dutta, D, Ghosh, A.K, Das, A.K.
登録日2015-11-25
公開日2015-12-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural elucidation of the NADP(H) phosphatase activity of staphylococcal dual-specific IMPase/NADP(H) phosphatase
Acta Crystallogr D Struct Biol, 72, 2016

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