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7TD0
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BU of 7td0 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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, ...
著者Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
登録日2021-12-30
公開日2022-02-09
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD2
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BU of 7td2 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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, ...
著者Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
登録日2021-12-30
公開日2022-02-09
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD3
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BU of 7td3 by Molmil
Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
登録日2021-12-30
公開日2022-02-09
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD1
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BU of 7td1 by Molmil
Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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, ...
著者Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
登録日2021-12-30
公開日2022-02-09
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
7TD4
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Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod
分子名称: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y.
登録日2021-12-30
公開日2022-02-09
最終更新日2022-02-23
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
4Z34
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Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, Lysophosphatidic acid receptor 1, Soluble cytochrome b562, ...
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z35
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Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-9910539
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 3-{1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1H-pyrrol-3-yl}propanoic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
4Z36
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Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO-3080573
分子名称: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 1-(4-{[(2S,3R)-2-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]oxy}phenyl)cyclopropanecarboxylic acid, Lysophosphatidic acid receptor 1,Soluble cytochrome b562
著者Chrencik, J.E, Roth, C.B, Terakado, M, Kurata, H, Omi, R, Kihara, Y, Warshaviak, D, Nakade, S, Asmar-Rovira, G, Mileni, M, Mizuno, H, Griffith, M.T, Rodgers, C, Han, G.W, Velasquez, J, Chun, J, Stevens, R.C, Hanson, M.A, GPCR Network (GPCR)
登録日2015-03-30
公開日2015-06-03
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of Antagonist Bound Human Lysophosphatidic Acid Receptor 1.
Cell, 161, 2015
1MFG
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BU of 1mfg by Molmil
The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor
分子名称: Erb-B2 INTERACTING PROTEIN, Erb-B2 carboxyl-terminal fragment
著者Birrane, G, Chung, J, Ladias, J.A.
登録日2002-08-10
公開日2003-01-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Novel mode of ligand recognition by the erbin PDZ domain
J.Biol.Chem., 278, 2003
1MFL
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BU of 1mfl by Molmil
The Structure of ERBIN PDZ domain bound to the Carboxy-terminal tail of the ErbB2 Receptor
分子名称: Erb-B2 INTERACTING PROTEIN, PHOSPHORYLATED Erb-B2 carboxyl-terminal fragment.
著者Birrane, G, Chung, J, Ladias, J.A.
登録日2002-08-12
公開日2003-01-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Novel mode of ligand recognition by the erbin PDZ domain
J.Biol.Chem., 278, 2003
1KBH
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BU of 1kbh by Molmil
Mutual Synergistic Folding in the Interaction Between Nuclear Receptor Coactivators CBP and ACTR
分子名称: CREB-BINDING PROTEIN, nuclear receptor coactivator
著者Demarest, S.J, Martinez-Yamout, M, Chung, J, Chen, H, Xu, W, Dyson, H.J, Evans, R.M, Wright, P.E.
登録日2001-11-06
公開日2002-02-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Mutual synergistic folding in recruitment of CBP/p300 by p160 nuclear receptor coactivators.
Nature, 415, 2002
1DGQ
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BU of 1dgq by Molmil
NMR SOLUTION STRUCTURE OF THE INSERTED DOMAIN OF HUMAN LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1
分子名称: LEUKOCYTE FUNCTION ASSOCIATED ANTIGEN-1
著者Legge, G.B, Kriwacki, R.W, Chung, J, Hommel, U, Ramage, P, Case, D.A, Dyson, H.J, Wright, P.E.
登録日1999-11-24
公開日2000-02-03
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR solution structure of the inserted domain of human leukocyte function associated antigen-1.
J.Mol.Biol., 295, 2000
3NQW
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BU of 3nqw by Molmil
A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses
分子名称: CG11900, MANGANESE (II) ION, SULFATE ION
著者Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J.
登録日2010-06-30
公開日2010-09-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses
Nat.Struct.Mol.Biol., 17, 2010
1IE5
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BU of 1ie5 by Molmil
NMR STRUCTURE OF THE THIRD IMMUNOGLOBULIN DOMAIN FROM THE NEURAL CELL ADHESION MOLECULE.
分子名称: NEURAL CELL ADHESION MOLECULE
著者Atkins, A.R, Chung, J, Deechongkit, S, Little, E.B, Edelman, G.M, Wright, P.E, Cunningham, B.A, Dyson, H.J.
登録日2001-04-06
公開日2001-08-08
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of the third immunoglobulin domain of the neural cell adhesion molecule N-CAM: can solution studies define the mechanism of homophilic binding?
J.Mol.Biol., 311, 2001
3NR1
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BU of 3nr1 by Molmil
A metazoan ortholog of SpoT hydrolyzes ppGpp and plays a role in starvation responses
分子名称: HD domain-containing protein 3, MANGANESE (II) ION
著者Sun, D.W, Kim, H.Y, Kim, K.J, Jeon, Y.H, Chung, J.
登録日2010-06-30
公開日2010-09-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses
Nat.Struct.Mol.Biol., 17, 2010
3P2H
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BU of 3p2h by Molmil
Crystal structure of TofI in a ternary complex with an inhibitor and MTA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, AHL synthase, N-(3-oxocyclohex-1-en-1-yl)octanamide
著者Yu, S, Rhee, S.
登録日2010-10-02
公開日2011-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
3P2F
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BU of 3p2f by Molmil
Crystal structure of TofI in an apo form
分子名称: AHL synthase
著者Yu, S, Rhee, S.
登録日2010-10-02
公開日2011-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-molecule inhibitor binding to an N-acyl-homoserine lactone synthase
Proc.Natl.Acad.Sci.USA, 108, 2011
5HNM
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BU of 5hnm by Molmil
Crystal structure of vancomycin resistance D,D-pentapeptidase VanY E175A mutant from VanB-type resistance cassette in complex with Zn(II)
分子名称: D-alanyl-D-alanine carboxypeptidase, SULFATE ION, ZINC ION
著者Stogios, P.J, Chun, J, Wawrzak, Z, Evdokimova, E, Di Leo, R, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-01-18
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献To be published
To Be Published
7OLZ
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BU of 7olz by Molmil
Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ...
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
7ON5
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Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06
分子名称: 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-25
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
8DD5
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BU of 8dd5 by Molmil
Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363)
分子名称: 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION
著者Greasley, S.E, Johnson, E, Brodsky, O.
登録日2022-06-17
公開日2023-07-05
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
8CX9
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BU of 8cx9 by Molmil
Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism
分子名称: BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ...
著者Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S.
登録日2022-05-20
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
3BJM
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BU of 3bjm by Molmil
Crystal structure of human DPP-IV in complex with (1S,3S, 5S)-2-[(2S)-2-AMINO-2-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1- YL)ACETYL]-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (CAS), (1S,3S,5S)-2-((2S)-2-AMINO-2-(3-HYDROXYADAMANTAN-1- YL)ACETYL)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBONITRILE (IUPAC), OR BMS-477118
分子名称: (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4
著者Klei, H.E.
登録日2007-12-04
公開日2008-04-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation.
Protein Sci., 17, 2008
7M3Q
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Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
著者Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S.
登録日2021-03-18
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published

 

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