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2ZEC
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BU of 2zec by Molmil
Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase
Descriptor: 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2
Authors:Spurlino, J.C, Lewandowski, F, Milligan, C.
Deposit date:2007-12-08
Release date:2008-12-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.059 Å)
Cite:Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives
Bioorg.Med.Chem.Lett., 18, 2008
3BO0
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BU of 3bo0 by Molmil
Ribosome-SecY complex
Descriptor: 23S RIBOSOMAL RNA, PREPROTEIN TRANSLOCASE SecE SUBUNIT, PREPROTEIN TRANSLOCASE SecY SUBUNIT, ...
Authors:Akey, C.W, Menetret, J.F.
Deposit date:2007-12-15
Release date:2008-12-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:Ribosome binding of a single copy of the SecY complex: implications for protein translocation
Mol.Cell, 28, 2007
3FSM
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BU of 3fsm by Molmil
CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-Ala51,D-Ala51'] HIV-1 PROTEASE MOLECULE
Descriptor: COVALENT DIMER [L-Ala51, D-Ala51'] HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-01-10
Release date:2010-01-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3FRR
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BU of 3frr by Molmil
Structure of human IST1(NTD) - (residues 1-189)(P21)
Descriptor: Uncharacterized protein KIAA0174
Authors:Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
3FRT
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BU of 3frt by Molmil
The structure of human CHMP3 (residues 8 - 222).
Descriptor: Charged multivesicular body protein 3
Authors:Schubert, H.L, McCullough, J, Hill, C.P, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
6KN9
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BU of 6kn9 by Molmil
Crystal structure of human interleukin 18 receptor beta extracellular domain in complex with an antagonistic scFv
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-18 receptor accessory protein, ...
Authors:Wu, D.H, Liu, C.C.
Deposit date:2019-08-05
Release date:2020-02-12
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:A Synthetic Human Antibody Antagonizes IL-18R beta Signaling Through an Allosteric Mechanism.
J.Mol.Biol., 432, 2020
3BO1
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BU of 3bo1 by Molmil
Ribosome-SecY complex
Descriptor: 23S RIBOSOMAL RNA, PREPROTEIN TRANSLOCASE SecE SUBUNIT, PREPROTEIN TRANSLOCASE SecY SUBUNIT, ...
Authors:Akey, C.W, Menetret, J.F.
Deposit date:2007-12-15
Release date:2008-12-09
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:Ribosome binding of a single copy of the SecY complex: implications for protein translocation
Mol.Cell, 28, 2007
3D14
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BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Descriptor: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3CW0
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BU of 3cw0 by Molmil
E.coli DmsD
Descriptor: Twin-arginine leader-binding protein dmsD
Authors:Ramasamy, S, Clemons, W.
Deposit date:2008-04-21
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the twin-arginine signal-binding protein DmsD from Escherichia coli.
Acta Crystallogr.,Sect.F, 65, 2009
3D15
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BU of 3d15 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-(3-chloro-phenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)- ethyl]-thiazol-2-yl}-urea [SNS-314]
Descriptor: 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}urea, serine/threonine kinase 6
Authors:Elling, R.A, Bui, M, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
5UEU
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BU of 5ueu by Molmil
BRD4_BD2_A-1107604
Descriptor: Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UF0
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BU of 5uf0 by Molmil
BRD4_BD2-A-35165
Descriptor: 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UHN
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BU of 5uhn by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring a N549H/E565A Double Gain-of-Function Mutation
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-11
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.909 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UEZ
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BU of 5uez by Molmil
BRD4_BD2_A-1342843
Descriptor: 5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one, Bromodomain-containing protein 4
Authors:Park, C.H.
Deposit date:2017-01-03
Release date:2017-05-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UGX
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BU of 5ugx by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 Harboring a E565A/D650V double Gain-of-Function Mutation
Descriptor: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-10
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UGL
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BU of 5ugl by Molmil
Crystal Structure of FGF Receptor 2 Tyrosine Kinase Domain Harboring the D650V Activating Mutation
Descriptor: Fibroblast growth factor receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION
Authors:Mohammadi, M, Chen, H.
Deposit date:2017-01-09
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UQJ
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BU of 5uqj by Molmil
Structure of yeast Usb1
Descriptor: ACETATE ION, GLYCEROL, SULFATE ION, ...
Authors:Didychuk, A.L, Montemayor, E.J, Butcher, S.E.
Deposit date:2017-02-08
Release date:2017-08-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Usb1 controls U6 snRNP assembly through evolutionarily divergent cyclic phosphodiesterase activities.
Nat Commun, 8, 2017
5V1M
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BU of 5v1m by Molmil
Structure of human Usb1 with uridine 5'-monophosphate
Descriptor: CHLORIDE ION, GLYCEROL, U6 snRNA phosphodiesterase, ...
Authors:Montemayor, E.J, Didychuk, A.L, Butcher, S.E.
Deposit date:2017-03-02
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Usb1 controls U6 snRNP assembly through evolutionarily divergent cyclic phosphodiesterase activities.
Nat Commun, 8, 2017
5W77
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BU of 5w77 by Molmil
Solution structure of the MYC G-quadruplex bound to small molecule DC-34
Descriptor: 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide, DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION
Authors:Chen, X, Walters, K.J.
Deposit date:2017-06-19
Release date:2018-10-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.
Nat Commun, 9, 2018
5WOE
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BU of 5woe by Molmil
Solution structure of the sorting nexin 25 phox-homology domain
Descriptor: Sorting nexin-25
Authors:Chin, Y.K.Y, Mas, C, Mobli, M, Collins, B.M.
Deposit date:2017-08-01
Release date:2018-08-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
2I7P
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BU of 2i7p by Molmil
Crystal structure of human PANK3 in complex with AcCoA
Descriptor: ACETYL COENZYME *A, Pantothenate kinase 3
Authors:Hong, B.S, Wang, L, Shen, L, Tempel, W, Loppnau, P, Finerty, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC)
Deposit date:2006-08-31
Release date:2006-12-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder.
J.Biol.Chem., 282, 2007
8BI3
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BU of 8bi3 by Molmil
Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200W (crystal M200W#1)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-01
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
8BKF
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BU of 8bkf by Molmil
Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200T (crystal M200T#o)
Descriptor: CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ...
Authors:Sciuk, A, Ruszkowski, M, Jaskolski, M, Loch, J.I.
Deposit date:2022-11-09
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.221 Å)
Cite:The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII.
Protein Sci., 32, 2023
6D1V
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BU of 6d1v by Molmil
Crystal structure of E. coli RppH-DapF complex, monomer bound to RNA
Descriptor: CHLORIDE ION, Diaminopimelate epimerase, GLYCEROL, ...
Authors:Gao, A, Serganov, A.
Deposit date:2018-04-12
Release date:2018-05-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural and kinetic insights into stimulation of RppH-dependent RNA degradation by the metabolic enzyme DapF.
Nucleic Acids Res., 46, 2018
6FWZ
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BU of 6fwz by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2018-03-07
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018

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數據於2025-07-09公開中

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