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1K52
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BU of 1k52 by Molmil
Monomeric Protein L B1 Domain with a K54G mutation
Descriptor: Protein L, ZINC ION
Authors:O'Neill, J.W, Kim, D.E, Johnsen, K, Baker, D, Zhang, K.Y.J.
Deposit date:2001-10-09
Release date:2001-12-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus.
Structure, 9, 2001
7VWA
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BU of 7vwa by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal
Descriptor: (Z)-hexadec-9-enal, PBP1
Authors:Zheng, J, Chen, Z.
Deposit date:2021-11-10
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW8
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BU of 7vw8 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 7.5
Descriptor: PBP1
Authors:Zheng, J, Chen, Z.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: PBP1
Authors:Zheng, J, Chen, Z.
Deposit date:2021-11-10
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
6AKS
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BU of 6aks by Molmil
Cryo-EM structure of CVA10 mature virus
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKT
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BU of 6akt by Molmil
Cryo-EM structure of CVA10 A-particle
Descriptor: VP1, VP2, VP3
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
6AKU
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BU of 6aku by Molmil
Cryo-EM structure of CVA10 empty particle
Descriptor: VP1, VP2, VP3
Authors:Zhu, L, Sun, Y, Fan, J.Y, Zhu, B, Cao, L, Gao, Q, Zhang, Y.J, Liu, H.R, Rao, Z.H, Wang, X.X.
Deposit date:2018-09-03
Release date:2019-01-16
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures of Coxsackievirus A10 unveil the molecular mechanisms of receptor binding and viral uncoating.
Nat Commun, 9, 2018
7CWS
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BU of 7cws by Molmil
SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail
Descriptor: 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, ...
Authors:Wang, L, Wang, X.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of FC05, Heavy chain Fab of HB27, ...
Authors:Cui, Z, Wang, X.
Deposit date:2020-08-31
Release date:2021-06-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite: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
Descriptor: 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, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
5F53
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BU of 5f53 by Molmil
Nano-ring of cadmium ions coordinated by nvPizza2-S16S58
Descriptor: CADMIUM ION, CHLORIDE ION, NVPIZZA2-S16S58
Authors:Voet, A.R.D, Tame, J.R.H.
Deposit date:2015-12-04
Release date:2016-12-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A cadmium chloride ring created by a designed symmetrical protein
To Be Published
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
Descriptor: PROTEIN L, ZINC ION
Authors:O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J.
Deposit date:2001-01-23
Release date:2001-04-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: PROTEIN L
Authors:O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J.
Deposit date:2001-01-23
Release date:2001-04-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution.
Acta Crystallogr.,Sect.D, 57, 2001
1JML
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BU of 1jml by Molmil
Conversion of Monomeric Protein L to an Obligate Dimer by Computational Protein Design
Descriptor: Protein L, ZINC ION
Authors:O'Neill, J.W, Kuhlman, B, Kim, D.E, Zhang, K.Y.J, Baker, D.
Deposit date:2001-07-19
Release date:2001-10-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conversion of monomeric protein L to an obligate dimer by computational protein design.
Proc.Natl.Acad.Sci.USA, 98, 2001
4FK3
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BU of 4fk3 by Molmil
B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203
Descriptor: 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
Authors:Zhang, Y, Wang, W, Zhang, K.Y.J.
Deposit date:2012-06-12
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
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
Descriptor: 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
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-27
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.571 Å)
Cite: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
Descriptor: 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
Authors:Yang, Q, Jiang, X.
Deposit date:2019-02-28
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JMN
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BU of 6jmn by Molmil
Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2
Descriptor: 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
Authors:Jiang, X, Yang, Q.
Deposit date:2019-03-12
Release date:2020-05-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide, Chitotriosidase-1
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-26
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.834 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JK9
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BU of 6jk9 by Molmil
Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14
Descriptor: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$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
Authors:Jiang, X, Yang, Q.
Deposit date:2019-02-27
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.
J.Med.Chem., 63, 2020
6JPP
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BU of 6jpp by Molmil
Solution structure of ELMO1 RBD
Descriptor: Engulfment and cell motility protein 1
Authors:Tsuda, K, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2019-03-27
Release date:2020-04-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
7XN1
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BU of 7xn1 by Molmil
Crystal structure of human acetylcholinesterase in complex with tacrine
Descriptor: 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, ...
Authors:Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J.
Deposit date:2022-04-27
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery
Int.J.Biol.Macromol., 210, 2022
5I1Z
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BU of 5i1z by Molmil
Structure of nvPizza2-H16S58
Descriptor: SULFATE ION, nvPizza2-H16S58
Authors:Tame, J.R.H, Voet, A.R.D.
Deposit date:2016-02-07
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Broken Symmetry: Partial domain swapping in an artificial trimeric protein
To Be Published
7DXX
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BU of 7dxx by Molmil
Crystal structure of the mk2h_deltaMILPS peptide homodimer
Descriptor: MALONIC ACID, mk2h_deltaMILPS protein
Authors:Yagi, S, Tagami, S.
Deposit date:2021-01-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.403 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021
7DXZ
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BU of 7dxz by Molmil
Crystal structure of the chemically synthesized mk2h_deltaMILPYS peptide homodimer in complex with malonate
Descriptor: MALONIC ACID, mk2h_deltaMILPYS protein
Authors:Yagi, S, Tagami, S.
Deposit date:2021-01-20
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase.
J.Am.Chem.Soc., 143, 2021

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数据于2024-06-26公开中

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