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6A9F
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BU of 6a9f by Molmil
Crystal structure of a cyclase from Fischerella sp. TAU in complex with 4-(1H-Indol-3-yl)butan-2-one
分子名称: 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, GLYCEROL, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-13
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6A99
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Crystal structure of a Stig cyclases Fisc from Fischerella sp. TAU in complex with (3Z)-3-(1-methyl-2-pyrrolidinylidene)-3H-indole
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, CALCIUM ION, MAGNESIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-07-12
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6ADU
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BU of 6adu by Molmil
Crystal structure of an enzyme in complex with ligand C
分子名称: (3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Tan, X.K, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-08-02
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement.
Angew.Chem.Int.Ed.Engl., 57, 2018
6B73
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BU of 6b73 by Molmil
Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor
分子名称: CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ...
著者Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L.
登録日2017-10-03
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
6BQC
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BU of 6bqc by Molmil
Cyclopropane fatty acid synthase from E. coli
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase, ...
著者Hari, S.B, Grant, R.A, Sauer, R.T.
登録日2017-11-27
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.073 Å)
主引用文献Structural and Functional Analysis of E. coli Cyclopropane Fatty Acid Synthase.
Structure, 26, 2018
6BRA
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BU of 6bra by Molmil
HIV-1 protease (D25N, inactive) in complex with phage display optimized substrate SGIFLETS
分子名称: CHLORIDE ION, Phage display-optimized HIV-1 protease substrate, Protease
著者Windsor, I.W, Raines, R.T.
登録日2017-11-30
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.111 Å)
主引用文献A substrate selected by phage display exhibits enhanced side-chain hydrogen bonding to HIV-1 protease.
Acta Crystallogr D Struct Biol, 74, 2018
6C8X
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BU of 6c8x by Molmil
Wild-type HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.613 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6C8Y
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BU of 6c8y by Molmil
D30N HIV-1 protease in complex with a phenylboronic acid (P2') analog of darunavir
分子名称: CHLORIDE ION, GLYCEROL, Protease, ...
著者Windsor, I.W, Raines, R.T, Forest, K.T.
登録日2018-01-25
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Sub-picomolar Inhibition of HIV-1 Protease with a Boronic Acid.
J. Am. Chem. Soc., 140, 2018
6CHR
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BU of 6chr by Molmil
Crystal structure of a group II intron lariat with an intact 3' splice site (pre-2s state)
分子名称: MAGNESIUM ION, RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*A)-3'), RNA (621-MER), ...
著者Chan, R.T, Peters, J.K, Robart, A.R, Wiryaman, T, Rajashankar, K.R, Toor, N.
登録日2018-02-22
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural basis for the second step of group II intron splicing.
Nat Commun, 9, 2018
6CIH
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BU of 6cih by Molmil
Crystal structure of a group II intron lariat in the post-catalytic state
分子名称: IRIDIUM HEXAMMINE ION, MAGNESIUM ION, RNA (5'-R(P*UP*GP*UP*UP*UP*AP*UP*UP*AP*AP*AP*AP*AP*C*-3'), ...
著者Chan, R.T, Peters, J.K, Robart, A.R, Wiryaman, T, Rajashankar, K.R, Toor, N.
登録日2018-02-23
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.676 Å)
主引用文献Structural basis for the second step of group II intron splicing.
Nat Commun, 9, 2018
6DN2
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BU of 6dn2 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA
分子名称: 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
6DN3
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BU of 6dn3 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1555 SPLIT RNA
分子名称: 7,8-dimethyl-2,4-dioxo-10-(3-phenylpropyl)-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium, CHLORIDE ION, MAGNESIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
6DKQ
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BU of 6dkq by Molmil
Crystal structure of the Shr Hemoglobin Interacting Domain 2
分子名称: Heme-binding protein Shr, SULFATE ION
著者Macdonald, R, Cascio, D, Collazo, M.J, Clubb, R.T.
登録日2018-05-30
公開日2018-10-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Streptococcus pyogenes Shr protein captures human hemoglobin using two structurally unique binding domains.
J.Biol.Chem., 293, 2018
6DN1
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BU of 6dn1 by Molmil
CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1151 SPLIT RNA
分子名称: 10-(6-carboxyhexyl)-8-(cyclopentylamino)-2,4-dihydroxy-7-methylbenzo[g]pteridin-10-ium, MAGNESIUM ION, POTASSIUM ION, ...
著者Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T.
登録日2018-06-05
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch.
ACS Chem. Biol., 13, 2018
8IGT
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BU of 8igt by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A1
分子名称: Butyrophilin subfamily 2 member A1, ZINC ION
著者Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-21
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IH4
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BU of 8ih4 by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A2 Mutant
分子名称: Butyrophilin subfamily 2 member A2
著者Yang, Y.Y, Yi, S.M, Zhang, M.T, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-22
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IXV
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BU of 8ixv by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A in complex with 2Cl-HMBPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-03
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IZG
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BU of 8izg by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 5-HMBPP
分子名称: 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, ...
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8IZE
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BU of 8ize by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
分子名称: Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
著者Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
登録日2023-04-07
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8DOV
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BU of 8dov by Molmil
Crystal structure of the Shr Hemoglobin Interacting Domain 2 (HID2) in complex with Hemoglobin
分子名称: GLYCEROL, Heme-binding protein Shr, Hemoglobin subunit alpha, ...
著者Macdonald, R, Mahoney, B.J, Cascio, D, Clubb, R.T.
登録日2022-07-14
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Shr receptor from Streptococcus pyogenes uses a cap and release mechanism to acquire heme-iron from human hemoglobin.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EEP
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BU of 8eep by Molmil
T=1 particle HIV-1 CA G60A/G61P
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
登録日2022-09-07
公開日2023-02-15
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
8EET
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BU of 8eet by Molmil
T=1 particle HIV-1 CA M66A
分子名称: Gag polyprotein, INOSITOL HEXAKISPHOSPHATE
著者Pornillos, O, Ganser-Pornillos, B.K, Schirra, R.T.
登録日2022-09-07
公開日2023-02-15
最終更新日2023-03-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献A molecular switch modulates assembly and host factor binding of the HIV-1 capsid.
Nat.Struct.Mol.Biol., 30, 2023
8E8Q
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BU of 8e8q by Molmil
Cryo-EM structure of substrate-free DNClpX.ClpP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Ghanbarpour, A, Cohen, S, Davis, J.H, Sauer, R.T.
登録日2022-08-25
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structure of substrate-free DNClpX.ClpP
Nat Commun, 2023
8E91
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BU of 8e91 by Molmil
Cryo-EM structure of substrate-free ClpX.ClpP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ATP-dependent Clp protease proteolytic subunit, ...
著者Ghanbarpour, A, Davis, J.H, Sauer, R.T.
登録日2022-08-26
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (2.57 Å)
主引用文献Cryo-EM structure of substrate-free DNClpX.ClpP
Nat Commun, 2023
8E7V
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BU of 8e7v by Molmil
Cryo-EM structure of substrate-free DNClpX.ClpP from singly capped particles
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpX, ...
著者Ghanbarpour, A, Cohen, S, Davis, J.H, Sauer, R.T.
登録日2022-08-24
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of substrate-free DNClpX.ClpP
Nat Commun, 2023

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