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6U9R
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BU of 6u9r by Molmil
MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140)
分子名称: 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION
著者Petrunak, E.M, Stuckey, J.A.
登録日2019-09-09
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase.
Acs Med.Chem.Lett., 11, 2020
5NM4
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BU of 5nm4 by Molmil
A2A Adenosine receptor room-temperature structure determined by serial femtosecond crystallography
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NJM
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BU of 5njm by Molmil
Lysozyme room-temperature structure determined by serial millisecond crystallography
分子名称: Lysozyme C
著者Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NLX
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BU of 5nlx by Molmil
A2A Adenosine receptor room-temperature structure determined by serial millisecond crystallography
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM2
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BU of 5nm2 by Molmil
A2A Adenosine receptor cryo structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NM5
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BU of 5nm5 by Molmil
Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5O5W
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BU of 5o5w by Molmil
Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography
分子名称: (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Steffen, B, Weinert, T, Ermler, U, Standfuss, J.
登録日2017-06-02
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQT
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BU of 5nqt by Molmil
Tubulin Darpin room-temperature structure determined by serial millisecond crystallography
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
6GKE
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BU of 6gke by Molmil
Aleuria aurantia lectin AAL N224Q mutant in complex with Fucalpha1-6GlcNAc
分子名称: 1,2-ETHANEDIOL, Fucose-specific lectin, GLYCEROL, ...
著者Houser, J, Wimmerova, M, Herrera, H, Mehta, A.S.
登録日2018-05-19
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Structural dynamics and applications of a fucose-binding lectin with enhanced binding to alpha-1,6-linked core fucosylation
To Be Published
5NQU
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BU of 5nqu by Molmil
Tubulin Darpin cryo structure
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
4U78
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BU of 4u78 by Molmil
Octameric RNA duplex soaked in copper(II)chloride
分子名称: CALCIUM ION, COPPER (II) ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3')
著者Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O.
登録日2014-07-30
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
4U47
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BU of 4u47 by Molmil
Octameric RNA duplex soaked in terbium(III)chloride
分子名称: RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3'), TERBIUM(III) ION
著者Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O.
登録日2014-07-23
公開日2015-08-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
4U3P
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BU of 4u3p by Molmil
Octameric RNA duplex co-crystallized with strontium(II)chloride
分子名称: RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3'), STRONTIUM ION
著者Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O.
登録日2014-07-22
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
4U3R
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BU of 4u3r by Molmil
Octameric RNA duplex co-crystallized with cobalt(II)chloride
分子名称: COBALT (II) ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3')
著者Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O.
登録日2014-07-22
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
4U3L
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BU of 4u3l by Molmil
octameric RNA duplex co-crystallized in calcium(II)chloride
分子名称: CALCIUM ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3')
著者Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O.
登録日2014-07-22
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
4U3O
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BU of 4u3o by Molmil
Octameric RNA duplex soaked in manganese(II)chloride
分子名称: MANGANESE (II) ION, RNA (5'-R(*UP*CP*GP*UP*AP*CP*GP*A)-3')
著者Schaffer, M.F, Spingler, B, Schnabl, J, Peng, G, Olieric, V, Sigel, R.K.O.
登録日2014-07-22
公開日2015-07-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The X-ray Structures of Six Octameric RNA Duplexes in the Presence of Different Di- and Trivalent Cations.
Int J Mol Sci, 17, 2016
5ZHG
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BU of 5zhg by Molmil
Human group C rotavirus VP8*s recognize type A histo-blood group antigens as ligands
分子名称: Outer capsid protein VP8*
著者Sun, X, Duan, Z.
登録日2018-03-13
公開日2018-04-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
5ZHO
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BU of 5zho by Molmil
Human group C rotavirus VP8*s recognize type A histo-blood group antigens as ligands
分子名称: Outer capsid protein VP8*, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Sun, X, Duan, Z, Qi, J.
登録日2018-03-13
公開日2018-04-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Human Group C Rotavirus VP8*s Recognize Type A Histo-Blood Group Antigens as Ligands.
J. Virol., 92, 2018
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
著者Noeske, J, Shu, W, Bellamacina, C.
登録日2020-03-24
公開日2020-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
1CHZ
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BU of 1chz by Molmil
A NEW NEUROTOXIN FROM BUTHUS MARTENSII KARSCH
分子名称: CHLORIDE ION, PROTEIN (BMK M2)
著者He, X.L, Deng, J.P, Li, H.M, Wang, D.C.
登録日1999-03-31
公開日2000-03-31
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of a new neurotoxin from the scorpion Buthus martensii Karsch at 1.76 A.
Acta Crystallogr.,Sect.D, 56, 2000
6LR6
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BU of 6lr6 by Molmil
The crystal structure of human cytoplasmic LRS
分子名称: 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, 5'-O-(L-leucylsulfamoyl)adenosine, Leucine--tRNA ligase, ...
著者Liu, R.J, Long, T, Li, H, Li, J, Zhao, J.H, Lin, J.Z, Palencia, A, Wang, M.Z, Cusack, S, Wang, E.D.
登録日2020-01-15
公開日2020-03-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.009 Å)
主引用文献Molecular basis of the multifaceted functions of human leucyl-tRNA synthetase in protein synthesis and beyond.
Nucleic Acids Res., 48, 2020
4JAL
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BU of 4jal by Molmil
Crystal structure of tRNA (Um34/Cm34) methyltransferase TrmL from Escherichia coli with SAH
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Liu, R.J, Zhou, M, Wang, E.D.
登録日2013-02-18
公開日2013-07-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The tRNA recognition mechanism of the minimalist SPOUT methyltransferase, TrmL
Nucleic Acids Res., 41, 2013
5NGE
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BU of 5nge by Molmil
Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671
分子名称: 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7
著者Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D.
登録日2017-03-17
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
5NGF
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BU of 5ngf by Molmil
Crystal structure of USP7 in complex with the covalent inhibitor, FT827
分子名称: 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide
著者Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D.
登録日2017-03-17
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
7RW2
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BU of 7rw2 by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 5-7 in complex with prefusion SARS-CoV-2 spike glycoprotein
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, 5-7 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2021-08-19
公開日2021-09-01
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Neutralizing antibody 5-7 defines a distinct site of vulnerability in SARS-CoV-2 spike N-terminal domain.
Cell Rep, 37, 2021

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