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4CRF
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BU of 4crf by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: CHLORIDE ION, Coagulation factor XIa light chain, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2022-05-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRE
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BU of 4cre by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-chloro-4-methyl-1H-quinolin-2-one, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR5
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BU of 4cr5 by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-chloroquinolin-2(1H)-one, COAGULATION FACTOR XIA, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-25
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CR9
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BU of 4cr9 by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 4-methylquinoline-2,6-diamine, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRC
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BU of 4crc by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide, COAGULATION FACTOR XI, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2015-08-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRA
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BU of 4cra by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRB
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BU of 4crb by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, GLYCEROL, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRD
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BU of 4crd by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: COAGULATION FACTOR XI, Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate, SULFATE ION
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
4CRG
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BU of 4crg by Molmil
Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
分子名称: 6-carbamimidoyl-N-phenyl-4-(pyrimidin-2-ylamino)naphthalene-2-carboxamide, COAGULATION FACTOR XI, GLYCEROL, ...
著者Sandmark, J, Oster, L, Fjellstrom, O, Akkaya, S, Beisel, H.G, Eriksson, P.O, Erixon, K, Gustafsson, D, Jurva, U, Kang, D, Karis, D, Knecht, W, Nerme, V, Nilsson, I, Olsson, T, Redzic, A, Roth, R, Tigerstrom, A.
登録日2014-02-26
公開日2015-02-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Creating Novel Activated Factor Xi Inhibitors Through Fragment Based Lead Generation and Structure Aided Drug Design.
Plos One, 10, 2015
6O54
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BU of 6o54 by Molmil
Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 (D25N)
分子名称: CHLORIDE ION, HIV-1 protease
著者Wang, Y.-F, Brothers, R, Agniswamy, J, Weber, I.T.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Highly Drug-Resistant HIV-1 Protease Mutant PRS17 Shows Enhanced Binding to Substrate Analogues.
Acs Omega, 4, 2019
1EWF
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BU of 1ewf by Molmil
THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN
著者Kleiger, G, Beamer, L.J, Grothe, R, Mallick, P, Eisenberg, D.
登録日2000-04-25
公開日2000-06-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The 1.7 A crystal structure of BPI: a study of how two dissimilar amino acid sequences can adopt the same fold.
J.Mol.Biol., 299, 2000
1YJO
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BU of 1yjo by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate
分子名称: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
著者Nelson, R, Sawaya, M.R, Balbirnie, M, Madsen, A.O, Riekel, C, Grothe, R, Eisenberg, D.
登録日2005-01-15
公開日2005-06-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the cross-beta spine of amyloid-like fibrils.
Nature, 435, 2005
1YJP
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BU of 1yjp by Molmil
Structure of GNNQQNY from yeast prion Sup35
分子名称: Eukaryotic peptide chain release factor GTP-binding subunit
著者Nelson, R, Sawaya, M.R, Balbirnie, M, Madsen, A.O, Riekel, C, Grothe, R, Eisenberg, D.
登録日2005-01-15
公開日2005-06-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the cross-beta spine of amyloid-like fibrils.
Nature, 435, 2005
5MR5
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BU of 5mr5 by Molmil
Ligand-receptor complex.
分子名称: GDNF family receptor alpha-2, GLYCEROL, Neurturin, ...
著者Sandmark, J, Oster, L, Aagaard, A, Roth, R, Dahl, G.
登録日2016-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
5NMZ
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BU of 5nmz by Molmil
human Neurturin (97-197)
分子名称: GLYCEROL, Neurturin
著者Bigalke, J.M, Sandmark, J, Roth, R.
登録日2017-04-07
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and biophysical characterization of the human full-length neurturin-GFRa2 complex: A role for heparan sulfate in signaling.
J. Biol. Chem., 293, 2018
7MBP
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BU of 7mbp by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 1 mM EDTA
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-09-22
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBS
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BU of 7mbs by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (open state)
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBR
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BU of 7mbr by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (apo state)
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBT
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BU of 7mbt by Molmil
Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (low calcium occupancy in the transmembrane domain)
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBQ
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BU of 7mbq by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBU
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BU of 7mbu by Molmil
Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (high calcium occupancy in the transmembrane domain)
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
7MBV
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BU of 7mbv by Molmil
Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA
分子名称: (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ruan, Z, Lu, W, Du, J, Haley, E.
登録日2021-04-01
公開日2021-07-07
最終更新日2021-07-28
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition.
Nat.Struct.Mol.Biol., 28, 2021
2G30
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BU of 2g30 by Molmil
beta appendage of AP2 complexed with ARH peptide
分子名称: 16-mer peptide from Low density lipoprotein receptor adapter protein 1, AP-2 complex subunit beta-1, peptide sequence AAF
著者Edeling, M.A, Collins, B.M, Traub, L.M, Owen, D.J.
登録日2006-02-17
公開日2006-03-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Switches Involving the AP-2 beta2 Appendage Regulate Endocytic Cargo Selection and Clathrin Coat Assembly
Dev.Cell, 10, 2006
6GL7
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BU of 6gl7 by Molmil
Neurturin-GFRa2-RET extracellular complex
分子名称: GDNF family receptor alpha-2, Neurturin, Proto-oncogene tyrosine-protein kinase receptor Ret
著者Bigalke, J.M, Aibara, S, Sandmark, J, Amunts, A.
登録日2018-05-23
公開日2019-08-14
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Cryo-EM structure of the activated RET signaling complex reveals the importance of its cysteine-rich domain.
Sci Adv, 5, 2019
6RMV
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BU of 6rmv by Molmil
The crystal structure of a TRP channel peptide bound to a G protein beta gamma heterodimer
分子名称: GLYCEROL, 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Gruss, F, Oberwinkler, J, Ulens, C.
登録日2019-05-07
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The structural basis for an on-off switch controlling G beta gamma-mediated inhibition of TRPM3 channels.
Proc.Natl.Acad.Sci.USA, 117, 2020

 

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