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6RJ8
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BU of 6rj8 by Molmil
Structure of the alpha-beta hydrolase CorS from Tabernathe iboga
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ...
著者Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E.
登録日2019-04-26
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
6S6H
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BU of 6s6h by Molmil
Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site
分子名称: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL
著者Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K.
登録日2019-07-03
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
6S6W
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BU of 6s6w by Molmil
Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+
分子名称: 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
著者Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S.
登録日2019-07-03
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
6RS4
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BU of 6rs4 by Molmil
Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus
分子名称: 1,2-ETHANEDIOL, Tabersonine synthase
著者Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2019-05-21
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
6RT8
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BU of 6rt8 by Molmil
Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound
分子名称: 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL
著者Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
登録日2019-05-22
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
6S2Y
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BU of 6s2y by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b
分子名称: CHLOROPHYLL B, Water-soluble chlorophyll protein
著者Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E.
登録日2019-06-23
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
分子名称: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-06-18
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
6S2Z
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BU of 6s2z by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Brassica oleracea var. Botrytis with Chlorophyll-b
分子名称: CHLOROPHYLL B, Water-Soluble Chlorophyll Protein
著者Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E.
登録日2019-06-23
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
分子名称: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
登録日2019-06-28
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of human KCTD1
To be published
6SRW
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BU of 6srw by Molmil
Kemp Eliminase HG3.17 mutant Q50F, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50F
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6SRZ
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BU of 6srz by Molmil
Kemp Eliminase HG3.17 mutant Q50H, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50H, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6SS1
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BU of 6ss1 by Molmil
Kemp Eliminase HG3.17 mutant Q50A, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50A, E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6T1F
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BU of 6t1f by Molmil
Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site
分子名称: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*CP*C)-3')
著者Jalal, A.S.B, Pastrana, C.L, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Moreno-Herrero, F, Le, T.B.K.
登録日2019-10-04
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
6SS3
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BU of 6ss3 by Molmil
Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6T3E
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BU of 6t3e by Molmil
Structure of Thermococcus litoralis Delta(1)-pyrroline-2-carboxylate reductase in complex with NADH and L-proline
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DELTA1-pyrroline-2-carboxylate reductase, PROLINE
著者Ferraris, D.M, Miggiano, R, Ferrario, E, Rizzi, M.
登録日2019-10-10
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of Thermococcus litoralis Delta1-pyrroline-2-carboxylate reductase in complex with NADH and L-proline.
Acta Crystallogr D Struct Biol, 76, 2020
6SRY
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BU of 6sry by Molmil
Kemp Eliminase HG3.17 mutant Q50S, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
分子名称: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50S, E47N,N300D, ...
著者Bloch, J.S, Pinkas, D.M, Hilvert, D.
登録日2019-09-06
公開日2020-04-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6TVP
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BU of 6tvp by Molmil
Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM
分子名称: Alpha-maltose-1-phosphate synthase, SODIUM ION
著者Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
登録日2020-01-10
公開日2020-04-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM.
Acta Crystallogr.,Sect.F, 76, 2020
6U62
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BU of 6u62 by Molmil
Raptor-Rag-Ragulator complex
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Rogala, K.B, Sabatini, D.M.
登録日2019-08-29
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis for the docking of mTORC1 on the lysosomal surface.
Science, 366, 2019
4QAG
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BU of 4qag by Molmil
Structure of a dihydroxycoumarin active-site inhibitor in complex with the RNASE H domain of HIV-1 reverse transcriptase
分子名称: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
著者Himmel, D.M, Ho, W.C, Arnold, E.
登録日2014-05-04
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.712 Å)
主引用文献Structure of a Dihydroxycoumarin Active-Site Inhibitor in Complex with the RNase H Domain of HIV-1 Reverse Transcriptase and Structure-Activity Analysis of Inhibitor Analogs.
J.Mol.Biol., 426, 2014
1XLF
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BU of 1xlf by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, D-gluconic acid, MANGANESE (II) ION
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
1XLC
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BU of 1xlc by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, MAGNESIUM ION, Xylitol
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
1XLD
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BU of 1xld by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, MANGANESE (II) ION, Xylitol
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
1XLA
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BU of 1xla by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
1XLE
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BU of 1xle by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, MANGANESE (II) ION
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990
1XLK
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BU of 1xlk by Molmil
MECHANISM FOR ALDOSE-KETOSE INTERCONVERSION BY D-XYLOSE ISOMERASE INVOLVING RING OPENING FOLLOWED BY A 1,2-HYDRIDE SHIFT
分子名称: D-XYLOSE ISOMERASE, MANGANESE (II) ION
著者Collyer, C.A, Henrick, K, Blow, D.M.
登録日1991-10-09
公開日1993-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
J.Mol.Biol., 212, 1990

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