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7JRY
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BU of 7jry by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J4 immobile Holliday junction with R3 symmetry
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*GP*GP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-13
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.158 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JRZ
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BU of 7jrz by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J5 immobile Holliday junction with R3 symmetry
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*CP*GP*AP*CP*GP*GP*GP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*C)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-13
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.096 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JOH
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BU of 7joh by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J31 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*GP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.195 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JPC
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BU of 7jpc by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J7 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*GP*TP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*A)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*T)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JON
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BU of 7jon by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J23 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.107 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JP7
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BU of 7jp7 by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J16 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*GP*AP*CP*GP*CP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.207 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JP9
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BU of 7jp9 by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J8 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.157 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JOL
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BU of 7jol by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J24 immobile Holliday junction
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*TP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-06
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.114 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JP8
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BU of 7jp8 by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J10 immobile Holliday junction
分子名称: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-07
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7JS0
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BU of 7js0 by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J31 immobile Holliday junction with R3 symmetry
分子名称: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*AP*GP*AP*CP*GP*GP*CP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*G)-3'), ...
著者Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
登録日2020-08-13
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
7LX2
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BU of 7lx2 by Molmil
Cryo-EM structure of ConSOSL.UFO.664 (ConS) in complex with bNAb PGT122
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, Env glycoprotein gp160, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-03
公開日2022-03-09
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
7LX3
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BU of 7lx3 by Molmil
Cryo-EM structure of EDC-crosslinked ConSOSL.UFO.664 (ConS-EDC) in complex with bNAb PGT122
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, Env glycoprotein gp160, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-03
公開日2022-03-09
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
7LXM
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BU of 7lxm by Molmil
Cryo-EM structure of ConM SOSIP.v7 (ConM) in complex with bNAb PGT122
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, HIV-1 Env glycoprotein gp120, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-04
公開日2022-03-09
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
6WBW
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BU of 6wbw by Molmil
Structure of Human HDAC2 in complex with an ethyl ketone inhibitor
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Yu, W.
登録日2020-03-27
公開日2020-05-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
7LXN
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BU of 7lxn by Molmil
Cryo-EM structure of EDC-crosslinked ConM SOSIP.v7 (ConM-EDC) in complex with bNAb PGT122
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, HIV-1 Env glycoprotein gp120, ...
著者Martin, G.M, Ward, A.B, Sattentau, Q.J.
登録日2021-03-04
公開日2022-03-09
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Profound structural conservation of chemically cross-linked HIV-1 envelope glycoprotein experimental vaccine antigens.
Npj Vaccines, 8, 2023
6Z49
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BU of 6z49 by Molmil
Crystal structure of deubiquitinase Mindy2
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
著者Abdul Rehman, S.A, Kulathu, Y.
登録日2020-05-23
公開日2021-06-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Mol.Cell, 81, 2021
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
6ZAN
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BU of 6zan by Molmil
Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV.
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-06-05
公開日2021-06-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
6CHN
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BU of 6chn by Molmil
Phosphopantetheine adenylyltransferase (CoaD) in complex with methyl (R)-4-(3-(2-cyano-1-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)ethyl)phenoxy)piperidine-1-carboxylate
分子名称: DI(HYDROXYETHYL)ETHER, Phosphopantetheine adenylyltransferase, SULFATE ION, ...
著者Mamo, M, Appleton, B.A.
登録日2018-02-22
公開日2018-04-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
6NZC
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BU of 6nzc by Molmil
Crystal structure of E. coli fumarase C N326A variant with closed SS Loop at 1.40 angstrom resolution
分子名称: CITRIC ACID, Fumarate hydratase class II
著者Weaver, T.M, May, J.F, Bhattacharyya, B.
登録日2019-02-13
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.403 Å)
主引用文献Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020
6CCM
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BU of 6ccm by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-((3-bromobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
分子名称: 2-{[(3-bromophenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6WJY
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BU of 6wjy by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4-A
分子名称: 3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A, Neumann, L.
登録日2020-04-14
公開日2020-08-26
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Potent and Orally Available Bicyclo[1.1.1]pentane-Derived Indoleamine-2,3-dioxygenase 1 (IDO1) Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6CCS
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BU of 6ccs by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-(trifluoromethyl)-1H-benzo[d]imidazol-4-ol
分子名称: 2-(trifluoromethyl)-1H-benzimidazol-7-ol, Phosphopantetheine adenylyltransferase, SULFATE ION
著者Mamo, M, Appleton, B.A.
登録日2018-02-07
公開日2018-03-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
6CAS
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BU of 6cas by Molmil
Serial Femtosecond X-ray Crystal Structure of 30S ribosomal subunit from Thermus thermophilus in complex with N1MS
分子名称: 16S Ribosomal RNA rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者DeMirci, H.
登録日2018-01-31
公開日2018-07-25
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aminoglycoside ribosome interactions reveal novel conformational states at ambient temperature.
Nucleic Acids Res., 46, 2018
6NZ9
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BU of 6nz9 by Molmil
Crystal structure of E. coli fumarase C bound to citrate at 1.53 angstrom resolution
分子名称: CITRIC ACID, Fumarate hydratase class II
著者Stuttgen, G.M, May, J.F, Bhattcharyya, B, Weaver, T.M.
登録日2019-02-13
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献Closed fumarase C active-site structures reveal SS Loop residue contribution in catalysis.
Febs Lett., 594, 2020

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