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8GCY
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BU of 8gcy by Molmil
Co-crystal structure of CBL-B in complex with N-Aryl isoindolin-1-one inhibitor
分子名称: 1,2-ETHANEDIOL, 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, ...
著者Kimani, S, Zeng, H, Dong, A, Li, Y, Santhakumar, V, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-03-03
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.
Commun Biol, 6, 2023
1FC4
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BU of 1fc4 by Molmil
2-AMINO-3-KETOBUTYRATE COA LIGASE
分子名称: 2-AMINO-3-KETOBUTYRATE CONENZYME A LIGASE, 2-AMINO-3-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE
著者Schmidt, A, Matte, A, Li, Y, Sivaraman, J, Larocque, R, Schrag, J.D, Smith, C, Sauve, V, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2000-07-17
公開日2001-05-02
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Three-dimensional structure of 2-amino-3-ketobutyrate CoA ligase from Escherichia coli complexed with a PLP-substrate intermediate: inferred reaction mechanism.
Biochemistry, 40, 2001
7THM
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BU of 7thm by Molmil
SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9
分子名称: MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ...
著者Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y.
登録日2022-01-11
公開日2022-03-16
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
6XKK
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BU of 6xkk by Molmil
Cryo-EM structure of the NLRP1-CARD filament
分子名称: NACHT, LRR and PYD domains-containing protein 1
著者Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H.
登録日2020-06-26
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes.
Nat Commun, 12, 2021
6YM2
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BU of 6ym2 by Molmil
Crystal structure of YTHDC1 with compound ADO_AC_25
分子名称: SULFATE ION, YTHDC1, ~{N},9-dimethylpurin-6-amine
著者Bedi, R.K, Li, Y, Dolbois, A, Wiedmer, L, Caflisch, A.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of YTHDC1 with compound ADO_AC_25
To Be Published
6YM8
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BU of 6ym8 by Molmil
Crystal structure of YTHDC1 with compound YLI_DC1_002
分子名称: 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine, SULFATE ION, YTHDC1
著者Bedi, R.K, Li, Y, Wiedmer, L, Caflisch, A.
登録日2020-04-07
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of YTHDC1 with compound YLI_DC1_002
To Be Published
4YL8
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BU of 4yl8 by Molmil
Crystal structure of the Crumbs/Moesin complex
分子名称: GLYCEROL, IODIDE ION, Moesin, ...
著者Wei, Z, Li, Y, Zhang, M.
登録日2015-03-05
公開日2015-04-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis for the Phosphorylation-regulated Interaction between the Cytoplasmic Tail of Cell Polarity Protein Crumbs and the Actin-binding Protein Moesin
J.Biol.Chem., 290, 2015
4KR0
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BU of 4kr0 by Molmil
Complex structure of MERS-CoV spike RBD bound to CD26
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
著者Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Zhang, B, Shi, Y, Yan, J, Gao, G.F.
登録日2013-05-15
公開日2013-07-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26.
Nature, 500, 2013
3O22
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BU of 3o22 by Molmil
Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid
分子名称: OLEIC ACID, PALMITIC ACID, Prostaglandin-H2 D-isomerase
著者Zhou, Y, Shaw, N, Li, Y, Zhao, Y, Zhang, R, Liu, Z.-J.
登録日2010-07-22
公開日2010-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-function analysis of human L-Prostaglandin D Synthase bound with fatty acid
To be Published
3G5P
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BU of 3g5p by Molmil
Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
分子名称: COBALT (II) ION, PHOSPHATE ION, Peptide deformylase, ...
著者Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A.
登録日2009-02-05
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
4YVD
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BU of 4yvd by Molmil
Crytsal structure of human Pleiotropic Regulator 1 (PRL1)
分子名称: CHLORIDE ION, Pleiotropic regulator 1, SODIUM ION, ...
著者Dong, A, Zeng, H, Xu, C, Tempel, W, Li, Y, He, H, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2015-03-19
公開日2015-04-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crytsal structure of human Pleiotropic Regulator 1 (PRL1).
to be published
3G5K
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BU of 3g5k by Molmil
Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
分子名称: ACTINONIN, COBALT (II) ION, Peptide deformylase, ...
著者Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A.
登録日2009-02-05
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
4KQZ
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BU of 4kqz by Molmil
structure of the receptor binding domain (RBD) of MERS-CoV spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein
著者Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Bao, J, Zhang, B, Shi, Y, Yan, J, Gao, G.F.
登録日2013-05-15
公開日2013-07-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.514 Å)
主引用文献Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26.
Nature, 500, 2013
1G91
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BU of 1g91 by Molmil
SOLUTION STRUCTURE OF MYELOID PROGENITOR INHIBITORY FACTOR-1 (MPIF-1)
分子名称: MYELOID PROGENITOR INHIBITORY FACTOR-1
著者Rajarathnam, K, Li, Y, Rohrer, T, Gentz, R.
登録日2000-11-21
公開日2001-03-07
最終更新日2022-12-21
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of myeloid progenitor inhibitory factor-1 (MPIF-1), a novel monomeric CC chemokine.
J.Biol.Chem., 276, 2001
3PFN
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BU of 3pfn by Molmil
Crystal Structure of human NAD kinase
分子名称: NAD kinase, UNKNOWN ATOM OR ION
著者Wang, H, Tempel, W, Wernimont, A.K, Tong, Y, Guan, X, Shen, Y, Li, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
登録日2010-10-28
公開日2010-11-10
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of human NAD kinase
to be published
7JUO
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BU of 7juo by Molmil
CBP bromodomain complexed with YF2-23
分子名称: CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
著者Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G.
登録日2020-08-20
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
4QKQ
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BU of 4qkq by Molmil
RadA from Methanococcus Voltae in complex with copper phthalocyanine tetrasulfonate inhibitor
分子名称: Copper(II) tetrapyrrole, DNA repair and recombination protein RadA, NITRATE ION
著者Rao, D.E.C.S, Li, Y, He, Y, Luo, Y.
登録日2014-06-09
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of an archaeal Rad51 homolog in complex with a phthalocyanine tetrasulfonate inhibitor
To be Published
5CP3
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BU of 5cp3 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole
分子名称: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ...
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
3F62
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BU of 3f62 by Molmil
Crystal Structure of Human IL-18 in complex with Ectromelia virus IL-18 Binding Protein
分子名称: Interleukin 18 binding protein, Interleukin-18
著者Krumm, B.E, Li, Y, Deng, J.
登録日2008-11-05
公開日2009-01-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for antagonism of human interleukin 18 by poxvirus interleukin 18-binding protein.
Proc.Natl.Acad.Sci.USA, 105, 2008
7LH9
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BU of 7lh9 by Molmil
Crystal structure of BRPF2 PWWP domain in complex with DNA
分子名称: Bromodomain-containing protein 1, DNA
著者Zhang, M, Lei, M, Qin, S, Dong, A, Yang, A, Li, Y, Loppnau, P, Hughes, T.R, Arrowsmith, C.H, Edwards, A.M, Min, J, Liu, J, Structural Genomics Consortium (SGC)
登録日2021-01-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the BRPF2 PWWP domain in complex with DNA reveals a different binding mode than the HDGF family of PWWP domains.
Biochim Biophys Acta Gene Regul Mech, 1864, 2021
5CP7
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BU of 5cp7 by Molmil
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides
分子名称: Heavy Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7, Light Chain of Antigen-Binding Fragment of Monoclonal Antibody of 4C7
著者Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X.
登録日2015-07-21
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity.
Anal. Chem., 91, 2019
6OEB
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BU of 6oeb by Molmil
Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
著者Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-03-27
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6OOV
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BU of 6oov by Molmil
Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
分子名称: DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-04-23
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
To Be Published
6OEA
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BU of 6oea by Molmil
Crystal structure of HMCES SRAP domain in complex with longer 3' overhang DNA
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*TP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
著者Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-03-27
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
1KAE
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BU of 1kae by Molmil
L-HISTIDINOL DEHYDROGENASE (HISD) STRUCTURE COMPLEXED WITH L-HISTIDINOL (SUBSTRATE), ZINC AND NAD (COFACTOR)
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Histidinol dehydrogenase, ...
著者Barbosa, J.A.R.G, Sivaraman, J, Li, Y, Larocque, R, Matte, A, Schrag, J.D, Cygler, M.
登録日2001-11-01
公開日2002-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of action and NAD+-binding mode revealed by the crystal structure of L-histidinol dehydrogenase.
Proc.Natl.Acad.Sci.USA, 99, 2002

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