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6E6X
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BU of 6e6x by Molmil
The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one
分子名称: 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ...
著者Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M.
登録日2018-07-25
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
6O6F
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BU of 6o6f by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQD
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Crystal structure of Mcl1 with inhibitor 8
分子名称: (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQN
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BU of 6oqn by Molmil
Crystal structure of Mcl1 with inhibitor 7
分子名称: (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQB
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BU of 6oqb by Molmil
Co-crystal structure of Mcl1 with inhibitor 10
分子名称: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6G
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BU of 6o6g by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
3O64
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BU of 3o64 by Molmil
Crystal structure of catalytic domain of TACE with 2-(2-Aminothiazol-4-yl)pyrrolidine-Based Tartrate Diamides
分子名称: (2R,3R)-2,3-dihydroxy-4-{(2R)-2-[2-(methylamino)-5-(methylsulfonyl)-1,3-thiazol-4-yl]pyrrolidin-1-yl}-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide, CALCIUM ION, ISOPROPYL ALCOHOL, ...
著者Orth, P.
登録日2010-07-28
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3UFC
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BU of 3ufc by Molmil
Characterization of a Cas6-related gene from Pyrococcus furiosus
分子名称: Putative uncharacterized protein
著者Park, H.M, Kim, J.S.
登録日2011-11-01
公開日2012-03-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal structure of a Cas6 paralogous protein from Pyrococcus furiosus
Proteins, 80, 2012
3VTP
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BU of 3vtp by Molmil
HIV fusion inhibitor MT-C34
分子名称: Transmembrane protein gp41
著者Yao, X, Waltersperger, S, Wang, M, Cui, S.
登録日2012-06-02
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The M-T hook structure is critical for design of HIV-1 fusion inhibitors.
J.Biol.Chem., 287, 2012
5Z6P
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BU of 5z6p by Molmil
The crystal structure of an agarase, AgWH50C
分子名称: B-agarase
著者Mao, X, Zhou, J, Zhang, P, Zhang, L, Zhang, J, Li, Y.
登録日2018-01-24
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Structure-based design of agarase AgWH50C from Agarivorans gilvus WH0801 to enhance thermostability.
Appl. Microbiol. Biotechnol., 103, 2019
1W7P
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BU of 1w7p by Molmil
The crystal structure of endosomal complex ESCRT-II (VPS22/VPS25/VPS36)
分子名称: VPS22, YPL002C, VPS25, ...
著者Teo, H, Perisic, O, Gonzalez, B, Williams, R.L.
登録日2004-09-07
公開日2004-09-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Escrt-II, an Endosome-Associated Complex Required for Protein Sorting: Crystal Structure and Interactions with Escrt-III and Membranes
Dev.Cell, 7, 2004
8HIX
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BU of 8hix by Molmil
Cryo-EM structure of GPR21_m5_Gs
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X, Xu, F.
登録日2022-11-22
公開日2023-03-15
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ2
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BU of 8hj2 by Molmil
GPR21 wt with G15 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X, Xu, F.
登録日2022-11-22
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ0
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BU of 8hj0 by Molmil
GPR21(m5) and G15 complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X.
登録日2022-11-22
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
8HJ1
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BU of 8hj1 by Molmil
GPR21(wt) and Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Chen, B, Lin, X, Xu, F.
登録日2022-11-22
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Cryo-EM structures of orphan GPR21 signaling complexes.
Nat Commun, 14, 2023
4ZKT
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BU of 4zkt by Molmil
Crystal structure of the progenitor M complex of Clostridium botulinum type E neurotoxin
分子名称: Bontoxilysin A, Botulinum neurotoxin type E, nontoxic-nonhemagglutinin component, ...
著者Eswaramoorthy, S, Swaminathan, S.
登録日2015-04-30
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Molecular Assembly of Clostridium botulinum progenitor M complex of type E.
Sci Rep, 5, 2015
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
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, New antigen receptor variable domain, ...
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
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, New antigen receptor variable domain, Spike protein S1
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
8GXE
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BU of 8gxe by Molmil
PTPN21 FERM PTP complex
分子名称: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-19
公開日2023-09-27
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GWH
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BU of 8gwh by Molmil
PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 peptide
分子名称: SRC pTyr530 peptide, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-17
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GVV
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BU of 8gvv by Molmil
PTPN21 PTP domain C1108S mutant
分子名称: IODIDE ION, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GVL
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BU of 8gvl by Molmil
PTPN21 FERM
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8HGV
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Crystal structure of monoalkyl phthalate hydrolase MehpH
分子名称: Monoethylhexylphthalate hydrolase
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.30006242 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
分子名称: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.80001163 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023
6M4C
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BU of 6m4c by Molmil
C. albicans actin interacting protein Aip5
分子名称: C. albicans actin interacting protein Aip5
著者Loh, Z.Y, Gao, Y.G, Xie, Y, Miao, Y.
登録日2020-03-06
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Orchestrated actin nucleation by the Candida albicans polarisome complex enables filamentous growth.
J.Biol.Chem., 295, 2020

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