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6RRW
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BU of 6rrw by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2R,3R,4R,5S)-1-(5-{[4-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)benzyl]oxy}pentyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol
Descriptor: (2~{R},3~{R},4~{R},5~{S})-1-[5-[[4-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol, Alpha-mannosidase 2, ZINC ION
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RPC
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BU of 6rpc by Molmil
GOLGI ALPHA-MANNOSIDASE II
Descriptor: 1,2-ETHANEDIOL, Alpha-mannosidase 2, SUCCINIC ACID, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, Debets, M, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-14
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRJ
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BU of 6rrj by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide
Descriptor: (2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRU
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BU of 6rru by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (5R,6R,7S,8S)-5,6,7,8-tetrahydro-5-(hydroxymethyl)-3-(3-phenylpropyl)imidazo[1,2-a]pyridine-6,7,8-triol
Descriptor: (5~{R},6~{R},7~{S},8~{S})-5-(hydroxymethyl)-2-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol, Alpha-mannosidase 2, ZINC ION
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRX
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BU of 6rrx by Molmil
GOLGI ALPHA-MANNOSIDASE II in complex with (2S,3R)-2-(Hydroxymethyl)-3-piperidinol
Descriptor: (2~{S},3~{R})-2-(hydroxymethyl)piperidin-3-ol, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ...
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-20
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RRH
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BU of 6rrh by Molmil
GOLGI ALPHA-MANNOSIDASE II
Descriptor: 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION
Authors:Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
Deposit date:2019-05-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
4YMJ
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BU of 4ymj by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile, CHLORIDE ION, GLYCEROL, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-06
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
1CN4
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BU of 1cn4 by Molmil
ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
Descriptor: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
Authors:Stroud, R.M, Reid, S.W.
Deposit date:1999-05-25
Release date:1999-08-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
4YNE
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BU of 4yne by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ...
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-09
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0229 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7N0D
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BU of 7n0d by Molmil
Cryo-EM structure of the tetrameric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex
Descriptor: CHAPSO, MAGNESIUM ION, Non-structural protein 10, ...
Authors:Liu, C, Yang, Y.
Deposit date:2021-05-25
Release date:2021-07-28
Last modified:2021-09-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
7N0C
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BU of 7n0c by Molmil
Cryo-EM structure of the monomeric form of SARS-CoV-2 nsp10-nsp14 (E191A)-RNA complex
Descriptor: MAGNESIUM ION, Non-structural protein 10, Proofreading exoribonuclease, ...
Authors:Liu, C, Yang, Y.
Deposit date:2021-05-25
Release date:2021-07-28
Last modified:2021-09-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
7N0B
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BU of 7n0b by Molmil
Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex
Descriptor: CALCIUM ION, Non-structural protein 10, Proofreading exoribonuclease, ...
Authors:Liu, C, Yang, Y.
Deposit date:2021-05-25
Release date:2021-07-28
Last modified:2021-09-22
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
1HVC
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BU of 1hvc by Molmil
CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR
Descriptor: HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
Authors:Bhat, T.N, Baldwin, E.T, Erickson, J.W.
Deposit date:1994-06-22
Release date:1994-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
1HPX
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BU of 1hpx by Molmil
HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272
Descriptor: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE
Authors:Bhat, T.N, Erickson, J.W.
Deposit date:1995-05-18
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Descriptor: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Descriptor: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
2GMX
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BU of 2gmx by Molmil
Selective Aminopyridine-Based C-Jun N-terminal Kinase inhibitors with cellular activity
Descriptor: C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-04-07
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
1ENH
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BU of 1enh by Molmil
STRUCTURAL STUDIES OF THE ENGRAILED HOMEODOMAIN
Descriptor: ENGRAILED HOMEODOMAIN
Authors:Clarke, N.D, Kissinger, C.R, Desjarlais, J, Gilliland, G.L, Pabo, C.O.
Deposit date:1994-05-20
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of the engrailed homeodomain.
Protein Sci., 3, 1994
1VWB
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BU of 1vwb by Molmil
STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 11.8
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWL
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BU of 1vwl by Molmil
STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2, PH 3.5, I222 COMPLEX
Descriptor: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWI
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BU of 1vwi by Molmil
STREPTAVIDIN-CYCLO-[5-S-VALERAMIDE-HPQGPPC]K-NH2, PH 1.5, I222 COMPLEX
Descriptor: PENTANOIC ACID, PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2011-07-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWO
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BU of 1vwo by Molmil
STREPTAVIDIN COMPLEXED WITH CYCLO-AC-[CHPQGPPC]-NH2 MONOMER, PH 2.85
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWE
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BU of 1vwe by Molmil
STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 3.6
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997
1VWN
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BU of 1vwn by Molmil
STREPTAVIDIN-CYCLO-AC-[CHPQFC]-NH2, PH 4.8
Descriptor: PEPTIDE LIGAND CONTAINING HPQ, STREPTAVIDIN
Authors:Katz, B.A, Cass, R.T.
Deposit date:1997-03-03
Release date:1998-03-18
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:In crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0.
J.Biol.Chem., 272, 1997

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數據於2024-05-08公開中

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