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6DRZ
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BU of 6drz by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
3QYC
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BU of 3qyc by Molmil
Structure of a dimeric anti-HER2 single domain antibody
分子名称: VH domain of IgG molecule
著者Baral, T.N, Chao, S, Li, S, Tanha, J, Arbabai, M, Wang, S, Zhang, J.
登録日2011-03-03
公開日2012-02-08
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of a Human Single Domain Antibody Dimer Formed through V(H)-V(H) Non-Covalent Interactions.
Plos One, 7, 2012
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
1JPX
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BU of 1jpx by Molmil
Mutation that destabilize the gp41 core: determinants for stabilizing the SIV/CPmac envelope glycoprotein complex. Wild type.
分子名称: gp41 envelope protein
著者Liu, J, Wang, S, LaBranche, C.C, Hoxie, J.A, Lu, M.
登録日2001-08-03
公開日2002-04-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutations that destabilize the gp41 core are determinants for stabilizing the simian immunodeficiency virus-CPmac envelope glycoprotein complex.
J.Biol.Chem., 277, 2002
1PW2
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BU of 1pw2 by Molmil
APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2
分子名称: Cell division protein kinase 2
著者Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D.
登録日2003-06-30
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop.
Structure, 11, 2003
6WVV
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BU of 6wvv by Molmil
Plasmodium vivax M17 leucyl aminopeptidase
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, M17 leucyl aminopeptidase, ...
著者Malcolm, T.R, Drinkwater, N, McGowan, S.
登録日2020-05-07
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Active site metals mediate an oligomeric equilibrium in Plasmodium M17 aminopeptidases.
J.Biol.Chem., 296, 2020
5J7C
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BU of 5j7c by Molmil
A picomolar affinity FN3 domain in complex with hen egg-white lysozyme
分子名称: FNfn10-anti-lysozyme (DE0.4.1), Lysozyme C
著者Porebski, B.T, Drinkwater, N, McGowan, S, Buckle, A.M.
登録日2016-04-06
公開日2016-08-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.535 Å)
主引用文献Circumventing the stability-function trade-off in an engineered FN3 domain.
Protein Eng.Des.Sel., 2016
5J7K
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BU of 5j7k by Molmil
Loop grafting onto a highly stable FN3 scaffold
分子名称: FN3con-a-lys, ZINC ION
著者Porebski, B.T, Drinkwater, N, McGowan, S, Buckle, A.M.
登録日2016-04-06
公開日2016-08-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Circumventing the stability-function trade-off in an engineered FN3 domain.
Protein Eng.Des.Sel., 2016
4R5X
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BU of 4r5x by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 3-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
5CDZ
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BU of 5cdz by Molmil
Crystal structure of conserpin in the latent state
分子名称: Conserpin in the latent state, GLYCEROL
著者Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M.
登録日2015-07-06
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
5JQK
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BU of 5jqk by Molmil
The Xray Crystal Structure of P. falciparum Aminopeptidase P
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Peptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2016-05-05
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Biochem.J., 473, 2016
5JR6
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BU of 5jr6 by Molmil
The Xray Crystal Structure of P. falciparum Aminopeptidase P in Complex With Apstatin
分子名称: Apstatin, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Drinkwater, N, McGowan, S.
登録日2016-05-05
公開日2016-08-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Biochem.J., 473, 2016
5CE0
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BU of 5ce0 by Molmil
Crystal structure of conserpin with Z-mutation
分子名称: Native conserpin with Z-variant (E342K)
著者Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M.
登録日2015-07-06
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
4R7M
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BU of 4r7m by Molmil
Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: 4-amino-N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}benzamide, CARBONATE ION, DIMETHYL SULFOXIDE, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-28
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4R5V
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BU of 4r5v by Molmil
Structure of the m1 alanylaminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor
分子名称: GLYCEROL, M1 family aminopeptidase, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, Mcgowan, S.
登録日2014-08-22
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors.
J.Med.Chem., 57, 2014
4ZX9
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BU of 4zx9 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10b
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
1OR7
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BU of 1or7 by Molmil
Crystal Structure of Escherichia coli sigmaE with the Cytoplasmic Domain of its Anti-sigma RseA
分子名称: RNA polymerase sigma-E factor, Sigma-E factor negative regulatory protein
著者Campbell, E.A, Tupy, J.L, Gruber, T.M, Wang, S, Sharp, M.M, Gross, C.A, Darst, S.A.
登録日2003-03-12
公開日2003-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Escherichia coli sigmaE with the cytoplasmic domain of its anti-sigma RseA.
Mol.Cell, 11, 2003
7RIE
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BU of 7rie by Molmil
Plasmodium falciparum M17 in complex with inhibitor MIPS2571
分子名称: CARBONATE ION, M17 leucyl aminopeptidase, N-{(1R)-2-(hydroxyamino)-1-[4'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
著者Webb, C.T, McGowan, S.
登録日2021-07-19
公開日2022-09-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Genetic and chemical validation of Plasmodium falciparum aminopeptidase Pf A-M17 as a drug target in the hemoglobin digestion pathway.
Elife, 11, 2022
6NVB
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BU of 6nvb by Molmil
Crystal structure of the inhibitor-free form of the serine protease kallikrein-4
分子名称: GLYCEROL, Kallikrein-4, SULFATE ION
著者Riley, B.T, Buckle, A.M, McGowan, S.
登録日2019-02-04
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.636 Å)
主引用文献Crystal structure of the inhibitor-free form of the serine protease kallikrein-4.
Acta Crystallogr.,Sect.F, 75, 2019
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
分子名称: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
1PXK
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BU of 1pxk by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide
分子名称: Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
著者Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D.
登録日2003-07-04
公開日2003-12-09
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop
Structure, 11, 2003
6DRX
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BU of 6drx by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DS0
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BU of 6ds0 by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
分子名称: (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, ...
著者McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
登録日2018-06-13
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.188 Å)
主引用文献Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
4RIL
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BU of 4ril by Molmil
Structure of the amyloid forming segment, GAVVTGVTAVA, from the NAC domain of Parkinson's disease protein alpha-synuclein, residues 68-78, determined by electron diffraction
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2014-10-06
公開日2015-08-26
最終更新日2023-09-20
実験手法ELECTRON CRYSTALLOGRAPHY (1.43 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015

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