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2N8F
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BU of 2n8f by Molmil
Chemical shift assignments and structure calculation of spider toxin pi-hexatoxin-Hi1a
Descriptor: spider toxin pi-hexatoxin-Hi1a
Authors:Chin, Y.K.-Y, Pineda, S.S, Mobli, M, King, G.F.
Deposit date:2015-10-13
Release date:2016-10-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Potent neuroprotection after stroke afforded by a double-knot spider-venom peptide that inhibits acid-sensing ion channel 1a.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3IQI
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BU of 3iqi by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNENI
Descriptor: Cysteine synthase, MNENI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
3IQG
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BU of 3iqg by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNWNI
Descriptor: Cysteine synthase, MNWNI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
3IQH
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BU of 3iqh by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNYDI
Descriptor: Cysteine synthase, MNYDI, SULFATE ION
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
3PZ4
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BU of 3pz4 by Molmil
Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BMS3 and lipid substrate FPP
Descriptor: (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
Authors:Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S.
Deposit date:2010-12-14
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
3PZ3
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BU of 3pz3 by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS-analogue 14
Descriptor: 4-({(3R)-7-(5-formylfuran-2-yl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S.
Deposit date:2010-12-14
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
3PZ1
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BU of 3pz1 by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3
Descriptor: (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S.
Deposit date:2010-12-14
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
3PZ2
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BU of 3pz2 by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG) in Complex with BMS3 and lipid substrate GGPP
Descriptor: (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile, CALCIUM ION, GERANYLGERANYL DIPHOSPHATE, ...
Authors:Guo, Z, Bon, R.S, Stigter, E.A, Waldmann, H, Alexandrov, K, Blankenfeldt, W, Goody, R.S.
Deposit date:2010-12-14
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Guided Development of Selective RabGGTase Inhibitors.
Angew.Chem.Int.Ed.Engl., 50, 2011
3DBS
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BU of 3dbs by Molmil
Structure of PI3K gamma in complex with GDC0941
Descriptor: 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Wiesmann, C, Ultsch, M.
Deposit date:2008-06-02
Release date:2008-06-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer
J.Med.Chem., 51, 2008
4GTS
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BU of 4gts by Molmil
Engineered RabGGTase in complex with BMS analogue 16
Descriptor: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4EHM
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BU of 4ehm by Molmil
RabGGTase in complex with covalently bound Psoromic acid
Descriptor: 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W.
Deposit date:2012-04-02
Release date:2012-05-30
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase
J.Am.Chem.Soc., 134, 2012
4GTM
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BU of 4gtm by Molmil
FTase in complex with BMS analogue 11
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl hexylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-28
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTV
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BU of 4gtv by Molmil
Engineered RabGGTase in complex with BMS analogue 13
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTO
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BU of 4gto by Molmil
FTase in complex with BMS analogue 14
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl trifluoromethanesulfonate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTT
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BU of 4gtt by Molmil
Engineered RabGGTase in complex with BMS analogue 12
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTQ
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BU of 4gtq by Molmil
FTase in complex with BMS analogue 12
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl benzylcarbamate, FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
4GTR
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BU of 4gtr by Molmil
FTase in complex with BMS analogue 13
Descriptor: 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
6BCK
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BU of 6bck by Molmil
Crystal Structure of Broadly Neutralizing Antibody N49P7 in Complex with HIV-1 Clade AE strain 93TH057 gp120 core.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N49P7 Fab heavy chain of N29P7 IgG, ...
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-10-20
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of Near-Pan-neutralizing Antibodies against HIV-1 by Deconvolution of Plasma Humoral Responses.
Cell, 173, 2018
4GTP
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BU of 4gtp by Molmil
FTase in complex with BMS analogue 16
Descriptor: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
3DY5
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BU of 3dy5 by Molmil
Allene oxide synthase 8R-lipoxygenase from Plexaura homomalla
Descriptor: Allene oxide synthase-lipoxygenase protein, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gilbert, N.C, Niebuhr, M, Tsuruta, H, Newcomer, M.E.
Deposit date:2008-07-25
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:A covalent linker allows for membrane targeting of an oxylipin biosynthetic complex.
Biochemistry, 47, 2008
1QM9
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BU of 1qm9 by Molmil
NMR, REPRESENTATIVE STRUCTURE
Descriptor: POLYPYRIMIDINE TRACT-BINDING PROTEIN
Authors:Conte, M.R, Grune, T, Curry, S, Matthews, S.
Deposit date:1999-09-22
Release date:2000-07-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of Tandem RNA Recognition Motifs from Polypyrimidine Tract Binding Protein Reveals Novel Features of the Rrm Fold
Embo J., 19, 2000
3FG4
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BU of 3fg4 by Molmil
Crystal structure of Delta413-417:GS I805A LOX
Descriptor: ACETIC ACID, ARACHIDONIC ACID, Allene oxide synthase-lipoxygenase protein, ...
Authors:Neau, D.B, Newcomer, M.E.
Deposit date:2008-12-04
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity.
Biochemistry, 48, 2009
3FG3
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BU of 3fg3 by Molmil
Crystal structure of Delta413-417:GS I805W LOX
Descriptor: ACETIC ACID, Allene oxide synthase-lipoxygenase protein, CALCIUM ION, ...
Authors:Neau, D.B, Newcomer, M.E.
Deposit date:2008-12-04
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity.
Biochemistry, 48, 2009
3FG1
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BU of 3fg1 by Molmil
Crystal structure of Delta413-417:GS LOX
Descriptor: ACETIC ACID, Allene oxide synthase-lipoxygenase protein, CALCIUM ION, ...
Authors:Neau, D.B, Newcomer, M.E.
Deposit date:2008-12-04
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity.
Biochemistry, 48, 2009

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数据于2024-09-18公开中

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