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2ABA
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BU of 2aba by Molmil
Structure of reduced PETN reductase in complex with progesterone
分子名称: FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, PROGESTERONE, ...
著者Khan, H, Barna, T, Bruce, N.C, Munro, A.W, Leys, D, Scrutton, N.S.
登録日2005-07-15
公開日2005-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Proton transfer in the oxidative half-reaction of pentaerythritol tetranitrate reductase
Febs J., 272, 2005
2ABB
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BU of 2abb by Molmil
Structure of PETN reductase Y186F in complex with cyanide
分子名称: FLAVIN MONONUCLEOTIDE, ISOPROPYL ALCOHOL, THIOCYANATE ION, ...
著者Khan, H, Barna, T, Bruce, N.C, Munro, A.W, Leys, D, Scrutton, N.S.
登録日2005-07-15
公開日2005-10-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Proton transfer in the oxidative half-reaction of pentaerythritol tetranitrate reductase
Febs J., 272, 2005
7F6J
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BU of 7f6j by Molmil
Crystal structure of the PDZD8 coiled-coil domain - Rab7 complex
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PDZ domain-containing protein 8, ...
著者Khan, H, Chen, L, Tan, L, Im, Y.J.
登録日2021-06-25
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of human PDZD8-Rab7 interaction for the ER-late endosome tethering.
Sci Rep, 11, 2021
8YJC
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BU of 8yjc by Molmil
Structure of Vibrio vulnificus MARTX cysteine protease domain C3727A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, INOSITOL HEXAKISPHOSPHATE, Multifunctional autoprocessing repeat-in-toxin (MARTX), ...
著者Chen, L, Khan, H, Tan, L, Li, X, Zhang, G, Im, Y.J.
登録日2024-03-01
公開日2024-07-10
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of the activation of MARTX cysteine protease domain from Vibrio vulnificus.
Plos One, 19, 2024
8YJA
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BU of 8yja by Molmil
Structure of Vibrio vulnificus MARTX cysteine protease domain lacking beta-flap
分子名称: INOSITOL HEXAKISPHOSPHATE, MARTX cysteine protease domain, SODIUM ION
著者Chen, L, Khan, H, Tan, L, Li, X, Zhang, G, Im, Y.J.
登録日2024-03-01
公開日2024-07-10
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of the activation of MARTX cysteine protease domain from Vibrio vulnificus.
Plos One, 19, 2024
2L1F
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BU of 2l1f by Molmil
Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography
分子名称: RNA (65-MER), RNA (66-MER)
著者Summers, M.F, Irobalieva, R.N, Tolbert, B, Smalls-Manty, A, Iyalla, K, Loeliger, K, D'Souza, V, Khant, H, Schmid, M, Garcia, E, Telesnitsky, A, Chiu, W, Miyazaki, Y.
登録日2010-07-28
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography.
J.Mol.Biol., 404, 2010
3IXW
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BU of 3ixw by Molmil
Scorpion Hemocyanin activated state pseudo atomic model built based on cryo-EM density map
分子名称: Hemocyanin AA6 chain
著者Cong, Y, Zhang, Q, Woolford, D, Schweikardt, T, Khant, H, Ludtke, S, Chiu, W, Decker, H.
登録日2009-02-13
公開日2009-06-02
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (8 Å)
主引用文献Structural Mechanism of SDS-Induced Enzyme Activity of Scorpion Hemocyanin Revealed by Electron Cryomicroscopy.
Structure, 17, 2009
3IXV
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BU of 3ixv by Molmil
Scorpion Hemocyanin resting state pseudo atomic model built based on cryo-EM density map
分子名称: Hemocyanin AA6 chain
著者Cong, Y, Zhang, Q, Woolford, D, Schweikardt, T, Khant, H, Ludtke, S, Chiu, W, Decker, H.
登録日2009-02-13
公開日2009-06-02
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.8 Å)
主引用文献Structural Mechanism of SDS-Induced Enzyme Activity of Scorpion Hemocyanin Revealed by Electron Cryomicroscopy.
Structure, 17, 2009
8P26
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BU of 8p26 by Molmil
Crystal structure of Arabidopsis thaliana PAXX
分子名称: U2 small nuclear ribonucleoprotein auxiliary factor-like protein
著者Ochi, T.
登録日2023-05-15
公開日2023-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Plant PAXX has an XLF-like function and stimulates DNA end joining by the Ku-DNA ligase IV/XRCC4 complex.
Plant J., 116, 2023
1VYS
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BU of 1vys by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE W102Y MUTANT AND COMPLEXED WITH PICRIC ACID
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
著者Barna, T, Moody, P.C.E.
登録日2004-05-05
公開日2004-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
1VYP
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BU of 1vyp by Molmil
Structure of pentaerythritol tetranitrate reductase W102F mutant and complexed with picric acid
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
著者Barna, T, Moody, P.C.E.
登録日2004-05-04
公開日2004-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
1VYR
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BU of 1vyr by Molmil
Structure of pentaerythritol tetranitrate reductase complexed with picric acid
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
著者Barna, T, Moody, P.C.E.
登録日2004-05-05
公開日2004-06-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Atomic Resolution Structures and Solution Behavior of Enzyme-Substrate Complexes of Enterobacter Cloacae Pb2 Pentaerythritol Tetranitrate Reductase: Multiple Conformational States and Implications for the Mechanism of Nitroaromatic Explosive Degradation
J.Biol.Chem., 279, 2004
1GVS
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BU of 1gvs by Molmil
Structure of pentaerythritol tetranitrate reductase and complexed with picric acid
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PICRIC ACID
著者Barna, T, Moody, P.C.E.
登録日2002-02-27
公開日2003-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
1GVR
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BU of 1gvr by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMPLEXED WITH 2,4,6 TRINITROTOLUENE
分子名称: 2,4,6-TRINITROTOLUENE, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
著者Barna, T, Moody, P.C.E.
登録日2002-02-27
公開日2003-02-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
1GVO
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BU of 1gvo by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMPLEXED WITH 2,4 DINITROPHENOL
分子名称: 2,4-DINITROPHENOL, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
著者Barna, T, Moody, P.C.E.
登録日2002-02-22
公開日2003-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
1GVQ
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BU of 1gvq by Molmil
STRUCTURE OF PENTAERYTHRITOL TETRANITRATE REDUCTASE AND COMPLEXED WITH 2-CYCLOHEXENONE
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, cyclohex-2-en-1-one
著者Barna, T, Moody, P.C.E.
登録日2002-02-26
公開日2003-02-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and Structural Basis of Reactivity of Pentaerythritol Tetranitrate Reductase with Nadph,2-Cyclohexenone Nitroesters and Nitroaromatic Explosives
J.Biol.Chem., 277, 2002
7RTM
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BU of 7rtm by Molmil
Cryo-EM Structure of the Sodium-driven Chloride/Bicarbonate Exchanger NDCBE (SLC4A8)
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ...
著者Wang, W.G, Tsirulnikov, K, Zhekova, H, Kayik, G, Muhammad-Khan, H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Zhou, Z.H, Pushkin, A, Kurtz, I.
登録日2021-08-13
公開日2021-09-29
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE.
Nat Commun, 12, 2021
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
分子名称: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
7ZBU
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BU of 7zbu by Molmil
CryoEM structure of SARS-CoV-2 spike monomer in complex with neutralising antibody P008_60
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, P008_60 antibody, ...
著者Rosa, A, Pye, V.E, Cronin, N, Cherepanov, P.
登録日2022-03-24
公開日2022-08-17
最終更新日2022-08-31
実験手法ELECTRON MICROSCOPY (4.31 Å)
主引用文献A neutralizing epitope on the SD1 domain of SARS-CoV-2 spike targeted following infection and vaccination.
Cell Rep, 40, 2022
1H63
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BU of 1h63 by Molmil
Structure of the reduced Pentaerythritol Tetranitrate Reductase
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
著者Barna, T.M, Moody, P.C.E.
登録日2001-06-04
公開日2001-07-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H60
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BU of 1h60 by Molmil
Structure of Pentaerythritol Tetranitrate Reductase in complex with progesterone
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, PROGESTERONE
著者Barna, T.M, Moody, P.C.E.
登録日2001-06-04
公開日2001-07-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H62
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BU of 1h62 by Molmil
Structure of Pentaerythritol tetranitrate reductase in complex with 1,4-androstadien-3,17-dione
分子名称: ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
著者Barna, T.M, Moody, P.C.E.
登録日2001-06-04
公開日2001-07-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H51
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BU of 1h51 by Molmil
Oxidised Pentaerythritol Tetranitrate Reductase (SCN complex)
分子名称: FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE, THIOCYANATE ION
著者Barna, T, Moody, P.C.E.
登録日2001-05-17
公開日2003-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001
1H61
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Structure of Pentaerythritol Tetranitrate Reductase in complex with prednisone
分子名称: 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, FLAVIN MONONUCLEOTIDE, PENTAERYTHRITOL TETRANITRATE REDUCTASE
著者Barna, T.M, Moody, P.C.E.
登録日2001-06-04
公開日2001-07-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal Structure of Pentaerythritol Tetranitrate Reductase: "Flipped" Binding Geometries for Steroid Substrates in Different Redox States of the Enzyme
J.Mol.Biol., 310, 2001

 

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