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7QFG
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BU of 7qfg by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain III (aa 309-444)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, S-layer protein
著者Sagmeister, T, Eder, M, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QFJ
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Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II (aa 194-362)
分子名称: SlpX
著者Sagmeister, T, Pavkov-Keller, T, Buhlheller, C, Baek, M, Read, R, Baker, D.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QFL
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BU of 7qfl by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain II (aa 199-308)
分子名称: ACETATE ION, PHOSPHATE ION, S-layer protein
著者Sagmeister, T, Dordic, A, Eder, E, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QLE
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BU of 7qle by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I (aa 32-198)
分子名称: S-layer protein
著者Sagmeister, T, Eder, M, Vejzovic, D, Dordic, A, Pavkov-Keller, T.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QLD
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BU of 7qld by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I, Co-crystallization with HgCl2, Mutation Ser146Cys, (aa 32-198)
分子名称: CHLORIDE ION, MERCURY (II) ION, S-layer protein
著者Sagmeister, T, Vejzovic, D, Eder, M, Dordic, A, Pavkov-Keller, T.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
6GKI
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BU of 6gki by Molmil
Structure of E coli MlaC in Variously Loaded States
分子名称: BROMIDE ION, GLYCEROL, Probable phospholipid-binding protein MlaC
著者Knowles, T.J, Lovering, A.L.
登録日2018-05-21
公開日2019-04-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Evidence for phospholipid export from the bacterial inner membrane by the Mla ABC transport system.
Nat Microbiol, 4, 2019
6E50
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BU of 6e50 by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:K40L:T51F mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-18
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
8DYA
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BU of 8dya by Molmil
Structure of the SARS-CoV-2 spike glycoprotein S2 subunit
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D.
登録日2022-08-03
公開日2022-11-30
最終更新日2023-01-11
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献SARS-CoV-2 spike conformation determines plasma neutralizing activity elicited by a wide panel of human vaccines.
Sci Immunol, 7, 2022
6ZTB
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BU of 6ztb by Molmil
Crystal Structure of human P-Cadherin EC1_EC2
分子名称: CALCIUM ION, Cadherin-3, SODIUM ION
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-17
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
6ZTF
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BU of 6ztf by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684
分子名称: CQY684 Fab heavy-chain, CQY684 Fab light-chain
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
6ZTR
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BU of 6ztr by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324)
分子名称: CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ...
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
5EYM
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BU of 5eym by Molmil
MEK1 IN COMPLEX WITH BI 847325
分子名称: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1
著者Bader, G, Reiser, U, Zahn, S.K, Treu, M.
登録日2015-11-25
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
6U3Z
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BU of 6u3z by Molmil
Structure of VD20_5A4 Fab
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Dionne, G, Shapiro, L.
登録日2019-08-22
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99002314 Å)
主引用文献Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
6E5E
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BU of 6e5e by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D mutant of human cellular retinol binding protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-20
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E5Q
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BU of 6e5q by Molmil
Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-21
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6E7M
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BU of 6e7m by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:T51D:A28C mutant of human Cellular Retinol Binding Protein II
分子名称: ACETATE ION, GLYCEROL, RETINAL, ...
著者Ghanbarpour, A, Geiger, J.
登録日2018-07-26
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
7ONM
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BU of 7onm by Molmil
Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.769 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONQ
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BU of 7onq by Molmil
Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-25
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
7ONV
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BU of 7onv by Molmil
Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase)
分子名称: 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ...
著者Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R.
登録日2021-05-26
公開日2021-12-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase.
Acs Cent.Sci., 7, 2021
6E9L
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BU of 6e9l by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E5S
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BU of 6e5s by Molmil
Crystal structure of holo retinal-bound domain-swapped dimer Q108K:T51D mutant of human Cellular Retinol Binding Protein II
分子名称: RETINAL, Retinol-binding protein 2
著者Nosrati, M, Ghanbarpour, A, Geiger, J.
登録日2018-07-22
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
5EYK
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BU of 5eyk by Molmil
CRYSTAL STRUCTURE OF AURORA B IN COMPLEX WITH BI 847325
分子名称: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, Aurora kinase B-A, Inner centromere protein A
著者Bader, G, Zoephel, A.
登録日2015-11-25
公開日2016-08-17
最終更新日2016-10-19
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
6E9W
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BU of 6e9w by Molmil
Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION
著者Judge, R.A, Hobson, A.D.
登録日2018-08-01
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6UMI
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BU of 6umi by Molmil
Crystal structure of erenumab Fab-b
分子名称: erenumab Fab heavy chain, IgG1, erenumab Fab light chain
著者Mohr, C.
登録日2019-10-09
公開日2020-02-12
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Insight into Recognition of the CGRPR Complex by Migraine Prevention Therapy Aimovig (Erenumab).
Cell Rep, 30, 2020
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
著者Judge, R.A, Hobson, A.D.
登録日2018-08-08
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018

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