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8GLA
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BU of 8gla by Molmil
Co-crystal structure of caPCNA bound to the AOH1996 derivative, AOH1996-1LE
分子名称: CHLORIDE ION, N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine, Proliferating cell nuclear antigen
著者Jossart, J, Perry, J.J.
登録日2023-03-21
公開日2023-07-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.77 Å)
主引用文献Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
6VND
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BU of 6vnd by Molmil
Quaternary Complex of human dihydroorotate dehydrogenase (DHODH) with flavin mononucleotide (FMN), orotic acid and AG-636
分子名称: 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Padyana, A, Jin, L.
登録日2020-01-29
公開日2020-11-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Selective Vulnerability to Pyrimidine Starvation in Hematologic Malignancies Revealed by AG-636, a Novel Clinical-Stage Inhibitor of Dihydroorotate Dehydrogenase.
Mol.Cancer Ther., 19, 2020
6XVI
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BU of 6xvi by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_A12
分子名称: Outer membrane protein,Outer membrane protein,Mb-Nb207-c7HopQ_A12
著者Steyaert, J, Uchanski, T, Fischer, B.
登録日2020-01-22
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6Z4E
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BU of 6z4e by Molmil
The structure of the C-terminal domain of RssB from E. coli
分子名称: Regulator of RpoS
著者Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
登録日2020-05-25
公開日2020-07-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
6Z4C
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BU of 6z4c by Molmil
The structure of the N-terminal domain of RssB from E. coli
分子名称: Regulator of RpoS
著者Zeth, K, Dimce, M, Terrence, D.M, Schuenemann, V, Dougan, D.
登録日2020-05-25
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insight into the RssB-Mediated Recognition and Delivery of sigma s to the AAA+ Protease, ClpXP.
Biomolecules, 10, 2020
6XUX
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BU of 6xux by Molmil
Crystal structure of Megabody Mb-Nb207-cYgjK_NO
分子名称: CALCIUM ION, Nanobody,Glucosidase YgjK,Glucosidase YgjK,Nanobody
著者Steyaert, J, Uchanski, T, Fischer, B.
登録日2020-01-21
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.90000641 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6XV8
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BU of 6xv8 by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_G10
分子名称: Outer membrane protein
著者Steyaert, J, Uchanski, T, Fischer, B.
登録日2020-01-21
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
8SI6
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BU of 8si6 by Molmil
Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI5
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BU of 8si5 by Molmil
Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in complex with agonist naltriben in open state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
実験手法ELECTRON MICROSCOPY (2.17 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI4
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BU of 8si4 by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in open state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SIB
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BU of 8sib by Molmil
Cryo-EM structure of TRPM7 MHR1-3 domain
分子名称: Transient receptor potential cation channel subfamily M member 7
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI7
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BU of 8si7 by Molmil
Cryo-EM structure of TRPM7 in GDN detergent in complex with inhibitor VER155008 in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.59 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SIA
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BU of 8sia by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor NS8593 in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI2
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BU of 8si2 by Molmil
Cryo-EM structure of TRPM7 in MSP2N2 nanodisc in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CHOLESTEROL, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.19 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI3
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BU of 8si3 by Molmil
Cryo-EM structure of TRPM7 in GDN detergent in apo state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, CALCIUM ION, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
8SI8
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BU of 8si8 by Molmil
Cryo-EM structure of TRPM7 N1098Q mutant in GDN detergent in complex with inhibitor VER155008 in closed state
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile, ...
著者Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
登録日2023-04-14
公開日2023-05-17
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural mechanisms of TRPM7 activation and inhibition.
Nat Commun, 14, 2023
6QKX
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BU of 6qkx by Molmil
2-Naphthoyl-CoA Reductase-DiHydroNaphthoyl-CoA complex(NCR-DHNCoA co-crystallized complex)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Kayastha, K, Ermler, U.
登録日2019-01-30
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors.
Nat Commun, 10, 2019
6QKG
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BU of 6qkg by Molmil
2-Naphthoyl-CoA Reductase(NCR)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Kayastha, K, Ermler, U.
登録日2019-01-29
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors.
Nat Commun, 10, 2019
6QKR
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BU of 6qkr by Molmil
2-Naphthoyl-CoA Reductase-2-Naphthoyl-CoA complex(NCR-NCoA-soaked complex)
分子名称: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ...
著者Kayastha, K, Ermler, U.
登録日2019-01-30
公開日2019-05-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Low potential enzymatic hydride transfer via highly cooperative and inversely functionalized flavin cofactors.
Nat Commun, 10, 2019
6ZLX
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BU of 6zlx by Molmil
The structure of the ClpX-associated factor PDIP38
分子名称: PLATINUM (II) ION, Polymerase delta-interacting protein 2
著者Zeth, K, Dougan, D.
登録日2020-07-01
公開日2021-07-14
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献PDIP38 is a novel adaptor-like modulator of the mitochondrial AAA+ protease CLPXP
To Be Published
7Q4Q
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BU of 7q4q by Molmil
Magacizumab Fab fragment in complex with human LRG1 epitope
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LRG1 epitope, Magacizumab heavy chain, ...
著者Gutierrez-Fernandez, J, Luecke, H.
登録日2021-11-01
公開日2022-06-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of human LRG1 recognition by Magacizumab, a humanized monoclonal antibody with therapeutic potential.
Acta Crystallogr D Struct Biol, 78, 2022
2V1K
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BU of 2v1k by Molmil
Crystal structure of ferrous deoxymyoglobin at pH 6.8
分子名称: GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K.
登録日2007-05-24
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
2V1G
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BU of 2v1g by Molmil
Crystal structure of radiation-induced myoglobin compound II - intermediate H at pH 5.2
分子名称: GLYCEROL, HYDROXIDE ION, MYOGLOBIN, ...
著者Hersleth, H.-P, Dalhus, B, Gorbitz, C.H, Andersson, K.K.
登録日2007-05-24
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
2V1J
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BU of 2v1j by Molmil
Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 8.7
分子名称: GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K.
登録日2007-05-24
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007
2V1E
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BU of 2v1e by Molmil
Crystal structure of radiation-induced myoglobin compound II - intermediate H at pH 6.8
分子名称: GLYCEROL, HYDROXIDE ION, MYOGLOBIN, ...
著者Hersleth, H.-P, Gorbitz, C.H, Andersson, K.K.
登録日2007-05-23
公開日2007-06-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystallographic and Spectroscopic Studies of Peroxide-Derived Myoglobin Compound II and Occurrence of Protonated Fe(Iv)-O
J.Biol.Chem., 282, 2007

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