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3E4A
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BU of 3e4a by Molmil
Human IDE-inhibitor complex at 2.6 angstrom resolution
分子名称: 1,4-DIETHYLENE DIOXIDE, ACETIC ACID, HYDROXAMATE PEPTIDE II1, ...
著者Malito, E, Leissring, M.A, Choi, S, Cuny, G.D, Tang, W.J.
登録日2008-08-11
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Designed inhibitors of insulin-degrading enzyme regulate the catabolism and activity of insulin.
Plos One, 5, 2010
1QA5
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BU of 1qa5 by Molmil
MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES
分子名称: PROTEIN (MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN (MYRISTATE-GLY2 TO TRP57))
著者Geyer, M, Kalbitzer, H.R.
登録日1999-04-12
公開日1999-05-26
最終更新日2022-12-21
実験手法SOLUTION NMR
主引用文献Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein.
J.Mol.Biol., 289, 1999
6OJ0
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BU of 6oj0 by Molmil
Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1)
分子名称: Structural protein VP4, Uncharacterized protein
著者Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H.
登録日2019-04-10
公開日2019-10-02
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A packing for A-form DNA in an icosahedral virus.
Proc.Natl.Acad.Sci.USA, 116, 2019
1QA4
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BU of 1qa4 by Molmil
HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES
分子名称: Protein Nef
著者Geyer, M, Kalbitzer, H.R.
登録日1999-04-12
公開日1999-05-26
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein.
J.Mol.Biol., 289, 1999
8P2E
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BU of 8p2e by Molmil
Homotypic interacting B1 fab bound to Chondroitin Sulfate A
分子名称: B1 fab heavy, B1 fab light
著者Raghavan, S.S.R, Dagil, R, Wang, K.T, Salanti, A.
登録日2023-05-16
公開日2024-06-05
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Tumor-agnostic cancer therapy using antibodies targeting oncofetal chondroitin sulfate.
Nat Commun, 15, 2024
7KXI
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BU of 7kxi by Molmil
Structure of XL5-ligated hRpn13 Pru domain
分子名称: 2-{[(2S)-2-cyano-3-{3-[(4-methylbenzene-1-carbonyl)amino]phenyl}propanoyl]amino}benzoic acid, Proteasomal ubiquitin receptor ADRM1
著者Lu, X, Walters, K.J.
登録日2020-12-03
公開日2021-12-15
最終更新日2021-12-29
実験手法SOLUTION NMR
主引用文献Structure-guided bifunctional molecules hit a DEUBAD-lacking hRpn13 species upregulated in multiple myeloma.
Nat Commun, 12, 2021
7KP6
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BU of 7kp6 by Molmil
Structure of Ack1 kinase in complex with a selective inhibitor
分子名称: 5-chloro-N~2~-[4-(4-methylpiperazin-1-yl)phenyl]-N~4~-{[(2R)-oxolan-2-yl]methyl}pyrimidine-2,4-diamine, Activated CDC42 kinase 1, CHLORIDE ION
著者Thakur, M.K, Miller, W.T, Mahajan, N, Seeliger, M.A.
登録日2020-11-10
公開日2022-02-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Inhibiting ACK1-mediated phosphorylation of C-terminal Src kinase counteracts prostate cancer immune checkpoint blockade resistance.
Nat Commun, 13, 2022
4ORZ
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BU of 4orz by Molmil
HIV-1 Nef protein in complex with single domain antibody sdAb19 and an engineered Hck SH3 domain
分子名称: Protein Nef, Tyrosine-protein kinase HCK, single domain antibody sdAb19
著者Geyer, M, Lulf, S.
登録日2014-02-12
公開日2014-03-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the inhibition of HIV-1 Nef by a high-affinity binding single-domain antibody.
Retrovirology, 11, 2014
2OA8
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BU of 2oa8 by Molmil
Crystal Structure of mTREX1 with ssDNA
分子名称: 5'-D(*GP*AP*CP*G)-3', CALCIUM ION, Three prime repair exonuclease 1
著者de Silva, U, Hollis, T.
登録日2006-12-15
公開日2007-02-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of TREX1 Explains the 3' Nucleotide Specificity and Reveals a Polyproline II Helix for Protein Partnering.
J.Biol.Chem., 282, 2007
2IOC
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BU of 2ioc by Molmil
The crystal structure of TREX1 explains the 3' nucleotide specificity and reveals a polyproline II helix for protein partenring
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Three prime repair exonuclease 1
著者de Silva, U, Hollis, T.
登録日2006-10-10
公開日2007-02-20
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of TREX1 Explains the 3' Nucleotide Specificity and Reveals a Polyproline II Helix for Protein Partnering.
J.Biol.Chem., 282, 2007
7P4M
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BU of 7p4m by Molmil
Structure of the quinolinate synthase Y107F variant in an empty open form
分子名称: CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Volbeda, A.
登録日2021-07-12
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4Q
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BU of 7p4q by Molmil
Structure of the quinolinate synthase S124A variant complexed with citrate
分子名称: CHLORIDE ION, CITRATE ANION, FE3-S4 CLUSTER, ...
著者Volbeda, A.
登録日2021-07-12
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
7P4P
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BU of 7p4p by Molmil
Structure of the quinolinate synthase A84L variant complexed with citrate
分子名称: CHLORIDE ION, CITRATE ANION, IRON/SULFUR CLUSTER, ...
著者Volbeda, A.
登録日2021-07-12
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.
Acs Chem.Biol., 16, 2021
6I0R
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BU of 6i0r by Molmil
Structure of quinolinate synthase in complex with 5-mercaptopyridine-2,3-dicarboxylic acid
分子名称: 5-mercaptopyridine-2,3-dicarboxylic acid, FE (III) ION, HYDROSULFURIC ACID, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-10-26
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
6I0K
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BU of 6i0k by Molmil
Structure of quinolinate synthase in complex with 4-mercaptophthalic acid
分子名称: 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-10-26
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
8EXH
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BU of 8exh by Molmil
Agrobacterium tumefaciens Tpilus
分子名称: (14S,17R)-20-amino-17-hydroxy-11,17-dioxo-12,16,18-trioxa-17lambda~5~-phosphaicosan-14-yl tetradecanoate, Protein virB2
著者Beltran, L.C, Egelman, E.H.
登録日2022-10-25
公開日2023-03-22
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery
Nat Commun, 14, 2023
6I0P
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BU of 6i0p by Molmil
Structure of quinolinate synthase in complex with 6-mercaptopyridine-2,3-dicarboxylic acid
分子名称: 6-mercaptopyridine-2,3-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-10-26
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
8DFU
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BU of 8dfu by Molmil
Cryo-EM structure of conjugation pili from Aeropyrum pernix
分子名称: (2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate, Pilin protein
著者Beltran, L.C, Egelman, E.H.
登録日2022-06-22
公開日2023-03-22
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery.
Nat Commun, 14, 2023
8DFT
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BU of 8dft by Molmil
Cryo-EM structure of conjugative pili from Pyrobaculum calidifontis
分子名称: Pilin protein, [(2~{S},7~{S},11~{S},15~{S},19~{R},22~{R},26~{S},30~{R},34~{R},38~{S},43~{S},47~{S},51~{S},55~{R},58~{R},62~{S},66~{R},70~{R})-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
著者Beltran, L.C, Egelman, E.H.
登録日2022-06-22
公開日2023-03-22
最終更新日2024-09-25
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Archaeal DNA-import apparatus is homologous to bacterial conjugation machinery.
Nat Commun, 14, 2023
6D5F
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BU of 6d5f by Molmil
Cryo-EM reconstruction of membrane-enveloped filamentous virus SFV1 (Sulfolobus filamentous virus 1)
分子名称: DNA (336-MER), Fimbrial protein
著者Wang, F, Osinski, T, Liu, Y, Krupovic, M, Prangishvili, D, Egelman, E.H.
登録日2018-04-19
公開日2018-08-29
最終更新日2020-01-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural conservation in a membrane-enveloped filamentous virus infecting a hyperthermophilic acidophile.
Nat Commun, 9, 2018
6T8P
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BU of 6t8p by Molmil
HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ...
著者Blaesse, M, Venalainen, J.
登録日2019-10-24
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6T8Q
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BU of 6t8q by Molmil
HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
分子名称: (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide, ACETATE ION, CADMIUM ION, ...
著者Blaesse, M, Venalainen, J.
登録日2019-10-24
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
7NNH
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BU of 7nnh by Molmil
Cryo-EM structure of VAR2CSA FCR3 domain DBL5/6
分子名称: Erythrocyte membrane protein 1
著者Wang, K.T, Dagil, R, Salanti, A, Gourdon, P.E.
登録日2021-02-24
公開日2021-06-02
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM reveals the architecture of placental malaria VAR2CSA and provides molecular insight into chondroitin sulfate binding.
Nat Commun, 12, 2021
7RO4
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BU of 7ro4 by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 3
分子名称: major capsid protein
著者Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
登録日2021-07-30
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROI
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Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 12
分子名称: major capsid protein
著者Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
登録日2021-07-30
公開日2022-03-30
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022

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