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8T3P
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BU of 8t3p by Molmil
Crystal structure of MonC1 (a flavin-dependent monooxygenase)
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MonCI
著者Wang, Q, Mathews, I.I, Kim, C.Y.
登録日2023-06-07
公開日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Triepoxide formation by a flavin-dependent monooxygenase in monensin biosynthesis.
Nat Commun, 14, 2023
6QRQ
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BU of 6qrq by Molmil
Apo conformation of chemotaxis sensor ODP
分子名称: Oxygen-binding diiron protein
著者Muok, A.R, Crane, B.R.
登録日2019-02-19
公開日2019-06-19
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.562 Å)
主引用文献A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QWO
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Zinc-reconstituted ODP from T. maritima
分子名称: Oxygen-binding diiron protein, ZINC ION
著者Muok, A.R, Crane, B.R.
登録日2019-03-05
公開日2019-06-19
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019
6QNM
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BU of 6qnm by Molmil
Apo state of chemotaxis sensor ODP from T. denticola
分子名称: OXYGEN-BINDING DI-IRON PROTEIN
著者Muok, A.R, Chong, J.E, Crane, B.R.
登録日2019-02-11
公開日2019-06-19
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019
6R9N
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BU of 6r9n by Molmil
Peroxy diiron species of chemotaxis sensor ODP
分子名称: CHLORIDE ION, FE (III) ION, OXYGEN ATOM, ...
著者Muok, A.R, Crane, B.R.
登録日2019-04-03
公開日2019-06-19
最終更新日2022-03-30
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献A di-iron protein recruited as an Fe[II] and oxygen sensor for bacterial chemotaxis functions by stabilizing an iron-peroxy species.
Proc.Natl.Acad.Sci.USA, 116, 2019
2R2V
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BU of 2r2v by Molmil
Sequence Determinants of the Topology of the Lac Repressor Tetrameric Coiled Coil
分子名称: ACETATE ION, CITRIC ACID, GCN4 leucine zipper, ...
著者Liu, J, Lu, M.
登録日2007-08-27
公開日2008-06-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational specificity of the lac repressor coiled-coil tetramerization domain.
Biochemistry, 46, 2007
2IEQ
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BU of 2ieq by Molmil
Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
分子名称: ACETATE ION, SODIUM ION, Spike glycoprotein
著者Liu, J.
登録日2006-09-19
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Core Structure of S2 from the Human Coronavirus NL63 Spike Glycoprotein
Biochemistry, 45, 2006
2IPZ
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BU of 2ipz by Molmil
A Parallel Coiled-Coil Tetramer with Offset Helices
分子名称: GLYCEROL, General control protein GCN4, ISOPROPYL ALCOHOL
著者Liu, J, Lu, M.
登録日2006-10-12
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Parallel Coiled-Coil Tetramer with Offset Helices.
Biochemistry, 45, 2006
5GSX
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BU of 5gsx by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-2
分子名称: 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-17
公開日2017-06-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GR7
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BU of 5gr7 by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-1
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-08
公開日2017-06-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GSV
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BU of 5gsv by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 142-5
分子名称: 10-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-17
公開日2017-04-26
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GSR
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BU of 5gsr by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A
分子名称: 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-17
公開日2017-04-26
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GSB
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BU of 5gsb by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
著者Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
登録日2016-08-15
公開日2017-07-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5XS3
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BU of 5xs3 by Molmil
Crystal structure of HLA Class I antigen
分子名称: Heavy Chain, Light Chain, P
著者Wei, P.C, Yang, Y, Liu, Z.X, Luo, Z.Q, Tu, W.Y, Han, J.Y, Deng, Y.H, Yin, L.
登録日2017-06-12
公開日2017-09-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of Autoantigen Presentation by HLA-C*06:02 in Psoriasis
J. Invest. Dermatol., 137, 2017
6V2O
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BU of 6v2o by Molmil
HLA-B*57:01 presenting the peptide ASLNLPAVSW
分子名称: ACETATE ION, Beta-2-microglobulin, MHC class I antigen, ...
著者Maclachlan, B, Rossjohn, J, Vivian, J.P.
登録日2019-11-25
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2Q
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BU of 6v2q by Molmil
HLA-B*57:03 presenting the peptide LSSPVTKSF
分子名称: ACETATE ION, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
著者Maclachlan, B, Rossjohn, J, Vivian, J.P.
登録日2019-11-25
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V3J
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BU of 6v3j by Molmil
KIR3DL1 in complex with HLA-B*57:03 presenting the peptide LSSPVTKSF
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA-B alpha chain (B*5703GB), ...
著者Maclachlan, B, Rossjohn, J, Vivian, J.P.
登録日2019-11-25
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V2P
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HLA-B*57:03 presenting the peptide ASLNLPAVSW
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Maclachlan, B, Rossjohn, J, Vivian, J.P.
登録日2019-11-25
公開日2020-05-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The molecular basis of how buried human leukocyte antigen polymorphism modulates natural killer cell function.
Proc.Natl.Acad.Sci.USA, 117, 2020
4ZXT
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BU of 4zxt by Molmil
Complex of ERK2 with catechol
分子名称: AMMONIUM ION, CATECHOL, Mitogen-activated protein kinase 1, ...
著者Kurinov, I, Malakhova, M.
登録日2015-05-20
公開日2016-05-25
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A natural small molecule, catechol, induces c-Myc degradation by directly targeting ERK2 in lung cancer.
Oncotarget, 7, 2016
5AA8
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Structure of C1156Y,L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5A9U
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BU of 5a9u by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-22
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5AA9
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Structure of L1198F Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-23
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
6CPW
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Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
分子名称: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
著者Hruza, A, Hruza, A.
登録日2018-03-14
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
7K3D
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The structure of NTMT1 in complex with compound DC1-13
分子名称: N-terminal Xaa-Pro-Lys N-methyltransferase 1, N~2~-{(2S)-1-[(naphthalen-1-yl)acetyl]-2,5-dihydro-1H-pyrrole-2-carbonyl}-L-lysyl-L-argininamide, S-ADENOSYL-L-HOMOCYSTEINE
著者Chen, D, Huang, R, Noinaj, N.
登録日2020-09-11
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structure-based Discovery of Cell-Potent Peptidomimetic Inhibitors for Protein N-Terminal Methyltransferase 1.
Acs Med.Chem.Lett., 12, 2021
6LU7
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The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日2020-01-26
公開日2020-02-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020

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