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5R0S
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BU of 5r0s by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 06, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R18
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BU of 5r18 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 23, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R1O
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BU of 5r1o by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 39, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5HIP
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BU of 5hip by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-(pyridin-3-yl)benzoic acid
分子名称: 2-(pyridin-3-yl)benzoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
7U4O
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BU of 7u4o by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
分子名称: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
著者Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
登録日2022-02-28
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
5HIO
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BU of 5hio by Molmil
Crystal Structure of PQS Response Protein PqsE in Complex with 2-aminobenzoylacetate
分子名称: 3-(2-aminophenyl)-3-oxopropanoic acid, FE (III) ION, PqsE
著者Witzgall, F, Blankenfeldt, W.
登録日2016-01-12
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Acs Chem.Biol., 11, 2016
5R11
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BU of 5r11 by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 15, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
5R1J
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BU of 5r1j by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 34, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
7UTE
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BU of 7ute by Molmil
MicroED structure of Aeropyrum pernix protoglobin mutant
分子名称: IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, Protogloblin ApPgb
著者Danelius, E, Gonen, T, Unge, J.T.
登録日2022-04-26
公開日2022-05-25
最終更新日2024-04-03
実験手法ELECTRON CRYSTALLOGRAPHY (2.1 Å)
主引用文献Biocatalytic Carbene Transfer Using Diazirines.
J.Am.Chem.Soc., 144, 2022
7VML
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BU of 7vml by Molmil
Structure of recombinant RyR2 (EGTA dataset, class 1&2, closed state)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
著者Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
登録日2021-10-09
公開日2022-08-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7VMN
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BU of 7vmn by Molmil
Structure of recombinant RyR2 (EGTA dataset, class 2, closed state)
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
著者Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
登録日2021-10-09
公開日2022-08-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7VMO
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BU of 7vmo by Molmil
Structure of recombinant RyR2 (Ca2+ dataset, class 1, open state)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
著者Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
登録日2021-10-09
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7VMP
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BU of 7vmp by Molmil
Structure of recombinant RyR2 (Ca2+ dataset, class 2, open state)
分子名称: CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ...
著者Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
登録日2021-10-09
公開日2022-08-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
5FIL
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BU of 5fil by Molmil
Bovine mitochondrial ATP synthase state 3b
分子名称: ATP SYNTHASE F(0) COMPLEX SUBUNIT B1, MITOCHONDRIAL, ATP SYNTHASE F(0) COMPLEX SUBUNIT C1, ...
著者Zhou, A, Rohou, A, Schep, D.G, Bason, J.V, Montgomery, M.G, Walker, J.E, Grigorieff, N, Rubinstein, J.L.
登録日2015-09-28
公開日2015-10-14
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.
Elife, 4, 2015
5FLM
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BU of 5flm by Molmil
Structure of transcribing mammalian RNA polymerase II
分子名称: DNA, DNA-RNA ELONGATION SCAFFOLD, DNA-DIRECTED RNA POLYMERASE, ...
著者Bernecky, C, Herzog, F, Baumeister, W, Plitzko, J.M, Cramer, P.
登録日2015-10-26
公開日2016-01-20
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of Transcribing Mammalian RNA Polymerase II
Nature, 529, 2016
8IDE
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BU of 8ide by Molmil
Structure of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme (TsaN)
分子名称: MANGANESE (II) ION, N(6)-L-threonylcarbamoyladenine synthase
著者Zhang, Z.L, Jin, M.Q, Yu, Z.J, Chen, W, Wang, X.L, Lei, D.S, Zhang, W.H.
登録日2023-02-13
公開日2023-07-26
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structure-function analysis of an ancient TsaD-TsaC-SUA5-TcdA modular enzyme reveals a prototype of tRNA t6A and ct6A synthetases.
Nucleic Acids Res., 51, 2023
7U1Z
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BU of 7u1z by Molmil
Crystal structure of the DRBD and CROPs of TcdA
分子名称: SULFATE ION, Toxin A
著者Baohua, C, Peng, C, Kay, P, Rongsheng, J.
登録日2022-02-22
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structure and conformational dynamics of Clostridioides difficile toxin A.
Life Sci Alliance, 5, 2022
6O0X
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BU of 6o0x by Molmil
Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium
分子名称: 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ...
著者Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S.
登録日2019-02-17
公開日2019-07-10
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
6T7T
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BU of 6t7t by Molmil
Structure of yeast 80S ribosome stalled on poly(A) tract.
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Tesina, P, Buschauer, R, Cheng, J, Berninghausen, O, Becker, R, Beckmann, R.
登録日2019-10-23
公開日2019-12-25
最終更新日2020-02-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular mechanism of translational stalling by inhibitory codon combinations and poly(A) tracts.
Embo J., 39, 2020
5H9L
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BU of 5h9l by Molmil
Crystal Structure of LTBP1 in complex with cleaved Leukotriene C4
分子名称: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, GLUTATHIONE, Lipocalin AI-4
著者Andersen, J.F.
登録日2015-12-28
公開日2016-05-11
最終更新日2016-07-27
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structure and Ligand-Binding Mechanism of a Cysteinyl Leukotriene-Binding Protein from a Blood-Feeding Disease Vector.
Acs Chem.Biol., 11, 2016
5HA0
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BU of 5ha0 by Molmil
Crystal structure of the LTBP1 leukotriene d4 complex
分子名称: (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, Lipocalin AI-4
著者Andersen, J.F.
登録日2015-12-29
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.441 Å)
主引用文献Structure and Ligand-Binding Mechanism of a Cysteinyl Leukotriene-Binding Protein from a Blood-Feeding Disease Vector.
Acs Chem.Biol., 11, 2016
5HAE
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BU of 5hae by Molmil
Crystal structure of LTBP1 LTC4 complex collected on an in-house source
分子名称: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, GLUTATHIONE, Lipocalin AI-4
著者Andersen, J.F.
登録日2015-12-30
公開日2016-05-11
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structure and Ligand-Binding Mechanism of a Cysteinyl Leukotriene-Binding Protein from a Blood-Feeding Disease Vector.
Acs Chem.Biol., 11, 2016
6NBS
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BU of 6nbs by Molmil
WT ERK2 with compound 2507-8
分子名称: (5S)-5-benzyl-4,5-dihydro-1H-imidazol-2-amine, GLYCEROL, Mitogen-activated protein kinase 1, ...
著者Sammons, R.M, Perry, N.A, Cho, E.J, Kaoud, T.S, Zamora-Olivares, D.P, Piserchio, A, Houghten, R.A, Giulianotti, M, Li, Y, Debevec, G, Gurevich, V.V, Ghose, R, Iverson, T.M, Dalby, K.N.
登録日2018-12-10
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Novel Class of Common Docking Domain Inhibitors That Prevent ERK2 Activation and Substrate Phosphorylation.
Acs Chem.Biol., 14, 2019
5HLO
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BU of 5hlo by Molmil
Crystal structure of calcium and zinc-bound human S100A8 in space group C2221
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Lin, H, Andersen, G.R, Yatime, L.
登録日2016-01-15
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
5R0X
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BU of 5r0x by Molmil
PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 11, DMSO-free
分子名称: A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8
著者Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S.
登録日2020-02-12
公開日2020-06-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020

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