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7VW8
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BU of 7vw8 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 7.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-09
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW9
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BU of 7vw9 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 5.5
分子名称: PBP1
著者Zheng, J, Chen, Z.
登録日2021-11-10
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
1JML
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BU of 1jml by Molmil
Conversion of Monomeric Protein L to an Obligate Dimer by Computational Protein Design
分子名称: Protein L, ZINC ION
著者O'Neill, J.W, Kuhlman, B, Kim, D.E, Zhang, K.Y.J, Baker, D.
登録日2001-07-19
公開日2001-10-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conversion of monomeric protein L to an obligate dimer by computational protein design.
Proc.Natl.Acad.Sci.USA, 98, 2001
5GMO
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BU of 5gmo by Molmil
X-ray structure of carbonyl reductase SsCR
分子名称: Protein induced by osmotic stress
著者Shang, Y.P, Yu, H.L, Xu, J.H.
登録日2016-07-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Efficient Synthesis of (R)-2-Chloro-1-(2,4-dichlorophenyl)ethanol with a Ketoreductase from Scheffersomyces stipitis CBS 6045
Adv.Synth.Catal., 359, 2017
7CWS
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BU of 7cws by Molmil
SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail
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, Heavy Chain of FC05 Fab, ...
著者Wang, L, Wang, X.
登録日2020-08-31
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CWT
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BU of 7cwt by Molmil
SARS-CoV-2 Spike protein in complex with hb27 and fc05 Fab cocktail
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of FC05, Heavy chain Fab of HB27, ...
著者Cui, Z, Wang, X.
登録日2020-08-31
公開日2021-06-23
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CWU
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BU of 7cwu by Molmil
SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail
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, Spike glycoprotein, ...
著者Wang, X, Wang, N.
登録日2020-08-31
公開日2020-12-16
最終更新日2021-01-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
1HZ5
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BU of 1hz5 by Molmil
CRYSTAL STRUCTURES OF THE B1 DOMAIN OF PROTEIN L FROM PEPTOSTREPTOCOCCUS MAGNUS, WITH A TYROSINE TO TRYPTOPHAN SUBSTITUTION
分子名称: PROTEIN L, ZINC ION
著者O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J.
登録日2001-01-23
公開日2001-04-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution.
Acta Crystallogr.,Sect.D, 57, 2001
1HZ6
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BU of 1hz6 by Molmil
CRYSTAL STRUCTURES OF THE B1 DOMAIN OF PROTEIN L FROM PEPTOSTREPTOCOCCUS MAGNUS WITH A TYROSINE TO TRYPTOPHAN SUBSTITUTION
分子名称: PROTEIN L
著者O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J.
登録日2001-01-23
公開日2001-04-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution.
Acta Crystallogr.,Sect.D, 57, 2001
1K51
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BU of 1k51 by Molmil
A G55A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus
分子名称: Protein L, ZINC ION
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
1K52
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BU of 1k52 by Molmil
Monomeric Protein L B1 Domain with a K54G mutation
分子名称: Protein L, ZINC ION
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
1K50
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BU of 1k50 by Molmil
A V49A Mutation Induces 3D Domain Swapping in the B1 Domain of Protein L from Peptostreptococcus magnus
分子名称: Protein L
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
1K53
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BU of 1k53 by Molmil
Monomeric Protein L B1 Domain with a G15A Mutation
分子名称: Protein L, ZINC ION
著者O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
登録日2001-10-09
公開日2001-12-05
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
4FK3
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BU of 4fk3 by Molmil
B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203
分子名称: N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Wang, W, Zhang, K.Y.J.
登録日2012-06-12
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
5F53
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BU of 5f53 by Molmil
Nano-ring of cadmium ions coordinated by nvPizza2-S16S58
分子名称: CADMIUM ION, CHLORIDE ION, NVPIZZA2-S16S58
著者Voet, A.R.D, Tame, J.R.H.
登録日2015-12-04
公開日2016-12-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A cadmium chloride ring created by a designed symmetrical protein
To Be Published
5I1Z
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BU of 5i1z by Molmil
Structure of nvPizza2-H16S58
分子名称: SULFATE ION, nvPizza2-H16S58
著者Tame, J.R.H, Voet, A.R.D.
登録日2016-02-07
公開日2017-02-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broken Symmetry: Partial domain swapping in an artificial trimeric protein
To Be Published
6JPP
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BU of 6jpp by Molmil
Solution structure of ELMO1 RBD
分子名称: Engulfment and cell motility protein 1
著者Tsuda, K, Kukimoto-Niino, M, Shirouzu, M.
登録日2019-03-27
公開日2020-04-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
6JMN
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BU of 6jmn by Molmil
Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase
著者Jiang, X, Yang, Q.
登録日2019-03-12
公開日2020-05-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JJR
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BU of 6jjr by Molmil
Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14
分子名称: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1
著者Jiang, X, Yang, Q.
登録日2019-02-26
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.834 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JK9
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BU of 6jk9 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14
分子名称: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitinase
著者Jiang, X, Yang, Q.
登録日2019-02-27
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.312 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JK6
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BU of 6jk6 by Molmil
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2
分子名称: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitotriosidase-1
著者Jiang, X, Yang, Q.
登録日2019-02-27
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.571 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JKF
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BU of 6jkf by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-s2
分子名称: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide, Chitinase
著者Yang, Q, Jiang, X.
登録日2019-02-28
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
7XN1
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BU of 7xn1 by Molmil
Crystal structure of human acetylcholinesterase in complex with tacrine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase, ...
著者Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
登録日2022-04-27
公開日2023-03-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
7DG7
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BU of 7dg7 by Molmil
DPBB domain of VCP-like ATPase from Methanopyrus kandleri
分子名称: ATPase of the AAA+ class, IMIDAZOLE, ZINC ION
著者Yagi, S, Tagami, S.
登録日2020-11-11
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
7DG9
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BU of 7dg9 by Molmil
DPBB domain of VCP-like ATPase from Aeropyrum pernix
分子名称: Cell division control protein 48, AAA family, ZINC ION
著者Yagi, S, Tagami, S.
登録日2020-11-11
公開日2021-09-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021

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