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5FX5
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Novel inhibitors of human rhinovirus 3C protease
分子名称: GLYCEROL, RHINOVIRUS 3C PROTEASE, TETRAETHYLENE GLYCOL, ...
著者Kawatkar, S, Ek, M, Hoesch, V, Gagnon, M, Nilsson, E, Lister, T, Olsson, L, Patel, J, Yu, Q.
登録日2016-02-24
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and Structure-Activity Relationships of Novel Inhibitors of Human Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 26, 2016
7VVL
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BU of 7vvl by Molmil
PTH-bound human PTH1R in complex with Gs (class2)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
登録日2021-11-06
公開日2022-08-03
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7ZY0
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BU of 7zy0 by Molmil
Crystal structure of compound 7 bound to CK2alpha
分子名称: 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha
著者Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
登録日2022-05-23
公開日2022-10-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
2AU8
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Catalytic intermediate structure of inorganic pyrophosphatase
分子名称: CHLORIDE ION, Inorganic pyrophosphatase, MANGANESE (II) ION, ...
著者Samygina, V.R, Popov, A.N, Avaeva, S.M, Bartunik, H.D.
登録日2005-08-27
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Reversible inhibition of Escherichia coli inorganic pyrophosphatase by fluoride: trapped catalytic intermediates in cryo-crystallographic studies
J.Mol.Biol., 366, 2007
7VUT
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Crystal structure of AlleyCat10
分子名称: AlleyCat10, CALCIUM ION
著者Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K.
登録日2021-11-04
公開日2022-07-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献NMR-guided directed evolution.
Nature, 610, 2022
7VVN
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PTH-bound human PTH1R in complex with Gs (class4)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
登録日2021-11-06
公開日2022-08-03
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7VVK
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PTH-bound human PTH1R in complex with Gs (class1)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
登録日2021-11-06
公開日2022-08-03
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
7D98
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Crystal structure of full-length CbnR complexed with the target DNA complex
分子名称: DNA (56-mer), LysR-type regulatory protein
著者Senda, M, Giannopoulou, E, Senda, T.
登録日2020-10-12
公開日2021-03-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of the full-length LysR-type transcription regulator CbnR in complex with promoter DNA.
Febs J., 288, 2021
5MK9
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BU of 5mk9 by Molmil
Maltodextrin binding protein MalE1 from L. casei BL23 bound to beta-cyclodextrin
分子名称: CHLORIDE ION, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), MalE1
著者Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E.
登録日2016-12-02
公開日2017-07-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.919 Å)
主引用文献Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
7VVM
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BU of 7vvm by Molmil
PTH-bound human PTH1R in complex with Gs (class3)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
登録日2021-11-06
公開日2022-08-03
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
2GPN
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BU of 2gpn by Molmil
100 K STRUCTURE OF GLYCOGEN PHOSPHORYLASE AT 2.0 ANGSTROMS RESOLUTION
分子名称: GLYCOGEN PHOSPHORYLASE B
著者Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N.
登録日1998-03-26
公開日1998-07-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
7VVJ
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BU of 7vvj by Molmil
PTHrP-bound human PTH1R in complex with Gs
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
登録日2021-11-06
公開日2022-08-03
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
1N64
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BU of 1n64 by Molmil
Crystal structure analysis of the immunodominant antigenic site on Hepatitis C virus protein bound to mAb 19D9D6
分子名称: Fab 19D9D6 heavy chain, Fab 19D9D6 light chain, Genome polyprotein Capsid protein C
著者Menez, R, Bossus, M, Muller, B, Sibai, G, Dalbon, P, Ducancel, F, Jolivet-Reynaud, C, Stura, E.
登録日2002-11-08
公開日2003-02-25
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of a hydrophobic immunodominant antigenic site on hepatitis C virus core protein complexed to monoclonal antibody 19D9D6.
J.Immunol., 170, 2003
1N69
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BU of 1n69 by Molmil
Crystal structure of human saposin B
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, SAPOSIN B
著者Ahn, V.E, Faull, K.F, Whitelegge, J.P, Fluharty, A.L, Prive, G.G.
登録日2002-11-08
公開日2003-01-07
最終更新日2021-06-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of saposin B reveals a dimeric shell for lipid binding
Proc.Natl.Acad.Sci.USA, 100, 2003
3K1F
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BU of 3k1f by Molmil
Crystal structure of RNA Polymerase II in complex with TFIIB
分子名称: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
著者Kostrewa, D, Zeller, M.E, Armache, K.-J, Seizl, M, Leike, K, Thomm, M, Cramer, P.
登録日2009-09-27
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献RNA polymerase II-TFIIB structure and mechanism of transcription initiation.
Nature, 462, 2009
7VVO
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BU of 7vvo by Molmil
PTH-bound human PTH1R in complex with Gs (class5)
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O.
登録日2021-11-06
公開日2022-08-03
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Endogenous ligand recognition and structural transition of a human PTH receptor.
Mol.Cell, 82, 2022
3K4A
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BU of 3k4a by Molmil
Crystal structure of selenomethionine substituted E. coli beta-glucuronidase
分子名称: Beta-glucuronidase
著者Wallace, B.D, Orans, J, Redinbo, M.R.
登録日2009-10-05
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
4GQL
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BU of 4gql by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470.1
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-23
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
4GR3
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BU of 4gr3 by Molmil
Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470A
分子名称: CALCIUM ION, Macrophage metalloelastase, N-{(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-alpha-glutamyl-L-al pha-glutamine, ...
著者Stura, E.A, Vera, L, Beau, F, Devel, L, Cassar-Lajeunesse, E, Dive, V.
登録日2012-08-24
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
J.Med.Chem., 56, 2013
5MOS
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BU of 5mos by Molmil
Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ...
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2018-02-28
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
2P02
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BU of 2p02 by Molmil
Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
分子名称: CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2
著者Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-02-28
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2
To be Published
5M7L
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BU of 5m7l by Molmil
Blastochloris viridis photosynthetic reaction center synchrotron structure
分子名称: (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ...
著者Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G.
登録日2016-10-28
公開日2017-02-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Asymmetry in serial femtosecond crystallography data.
Acta Crystallogr A Found Adv, 73, 2017
5FON
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BU of 5fon by Molmil
Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure)
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S.
登録日2015-11-24
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
6CGY
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BU of 6cgy by Molmil
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a phosphate anion
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ...
著者Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M.
登録日2018-02-21
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
1T7F
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BU of 1t7f by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with a LxxLL motif
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, LxxLL motif peptide
著者Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J.
登録日2004-05-10
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Recognition and accommodation at the androgen receptor coactivator binding interface.
Plos Biol., 2, 2004

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