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7A1Q
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BU of 7a1q by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
Descriptor: 3-(carboxycarbonyl)cyclopentane-1-carboxylic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1P
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BU of 7a1p by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 4-propyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
Descriptor: (4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1M
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BU of 7a1m by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-propyl-2-oxoglutarate
Descriptor: 3-propyl-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7SJ3
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BU of 7sj3 by Molmil
Structure of CDK4-Cyclin D3 bound to abemaciclib
Descriptor: Cyclin-dependent kinase 4, G1/S-specific cyclin-D3, N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Authors:Hilgers, M.T, Pelletier, L.A.
Deposit date:2021-10-15
Release date:2022-11-02
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of active CDK4-cyclin D and mechanistic basis for abemaciclib efficacy.
NPJ Breast Cancer, 8, 2022
8VDH
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BU of 8vdh by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAGAAGGAAGTGGG) in Ternary Complex with DB2447
Descriptor: 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*GP*AP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*TP*CP*TP*AP*T)-3'), ...
Authors:Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D.
Deposit date:2023-12-15
Release date:2024-09-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics.
Rsc Adv, 14, 2024
6XYQ
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BU of 6xyq by Molmil
Multiple system atrophy Type II-2 alpha-synuclein filament
Descriptor: Alpha-synuclein
Authors:Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M.
Deposit date:2020-01-30
Release date:2020-02-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
1Q9D
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BU of 1q9d by Molmil
Fructose-1,6-bisphosphatase Complexed with a New Allosteric Site Inhibitor (I-State)
Descriptor: 3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE, 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, ...
Authors:Honzatko, R.B, Choe, J.Y.
Deposit date:2003-08-25
Release date:2003-12-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibition of fructose-1,6-bisphosphatase by a new class of allosteric effectors
J.Biol.Chem., 278, 2003
4DFY
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BU of 4dfy by Molmil
Crystal structure of R194A mutant of cAMP-dependent protein kinase with unphosphorylated activation loop
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha
Authors:Steichen, J.M, Kuchinskas, M, Yang, J, Taylor, S.S.
Deposit date:2012-01-24
Release date:2012-02-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structural basis for the regulation of protein kinase a by activation loop phosphorylation.
J.Biol.Chem., 287, 2012
3PSE
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BU of 3pse by Molmil
Structure of a viral OTU domain protease bound to interferon-stimulated gene 15 (ISG15)
Descriptor: 1.7.6 3-bromanylpropan-1-amine, GLYCEROL, RNA polymerase, ...
Authors:Bacik, J.P, James, T.W, Frias-Staheli, N, Garcia-Sastre, A, Mark, B.L.
Deposit date:2010-12-01
Release date:2011-01-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the removal of ubiquitin and interferon-stimulated gene 15 by a viral ovarian tumor domain-containing protease.
Proc.Natl.Acad.Sci.USA, 108, 2011
6W0L
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BU of 6w0l by Molmil
Henipavirus W protein interacts with 14-3-3 to modulate host gene expression
Descriptor: 14-3-3 protein sigma, CALCIUM ION, Phosphorylated W peptide
Authors:Edwards, M, Hoad, M, Tsimbalyuk, S, Menicucci, A, Messaoudi, I, Forwood, J, Basler, C.
Deposit date:2020-03-01
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Henipavirus W Proteins Interact with 14-3-3 To Modulate Host Gene Expression.
J.Virol., 94, 2020
6XYP
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BU of 6xyp by Molmil
Multiple system atrophy Type II-1 alpha-synuclein filament
Descriptor: Alpha-synuclein
Authors:Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M.
Deposit date:2020-01-30
Release date:2020-02-12
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
7A1N
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BU of 7a1n by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND CONSENSUS ANKYRIN REPEAT DOMAIN (20-MER)
Descriptor: (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, CONSENSUS ANKYRIN REPEAT DOMAIN, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1L
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BU of 7a1l by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-methyl-2-oxoglutarate
Descriptor: (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1J
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BU of 7a1j by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-(3-phenylpropyl)-2-oxoglutarate
Descriptor: 3-(3-phenylpropyl)-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1S
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BU of 7a1s by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II), 3-methyl-2-oxoglutarate, AND TANKYRASE-2 (TNKS2) FRAGMENT PEPTIDE (21-MER)
Descriptor: (3~{S})-3-methyl-2-oxidanylidene-pentanedioic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
7A1K
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BU of 7a1k by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH ZN(II) AND 3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate
Descriptor: 3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-08-13
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:2-Oxoglutarate derivatives can selectively enhance or inhibit the activity of human oxygenases.
Nat Commun, 12, 2021
5NAN
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BU of 5nan by Molmil
Crystal Structure of human IL-17AF in complex with human IL-17RA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, ...
Authors:Rondeau, J.-M, Goepfert, A.
Deposit date:2017-02-28
Release date:2017-09-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
5N92
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BU of 5n92 by Molmil
Crystal Structure of Human IL-17AF
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17A, Interleukin-17F
Authors:Rondeau, J.-M, Goepfert, A.
Deposit date:2017-02-24
Release date:2017-09-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The human IL-17A/F heterodimer: a two-faced cytokine with unique receptor recognition properties.
Sci Rep, 7, 2017
5FP5
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BU of 5fp5 by Molmil
Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site.
Descriptor: 4-fluorobenzoic acid, ACETYL GROUP, CYCLIN-DEPENDENT KINASE 2
Authors:Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-27
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
3P4F
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BU of 3p4f by Molmil
Structural and biochemical insights into MLL1 core complex assembly and regulation.
Descriptor: Histone-lysine N-methyltransferase MLL, Retinoblastoma-binding protein 5, WD repeat-containing protein 5
Authors:Avdic, V, Zhang, P, Lanouette, S, Groulx, A, Tremblay, V, Brunzelle, J.B, Couture, J.-F.
Deposit date:2010-10-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and biochemical insights into MLL1 core complex assembly.
Structure, 19, 2011
3QB1
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BU of 3qb1 by Molmil
Interleukin-2 mutant D10
Descriptor: Interleukin-2
Authors:Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Fathman, C.G, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
1H6F
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BU of 1h6f by Molmil
Human TBX3, a transcription factor responsible for ulnar-mammary syndrome, bound to a palindromic DNA site
Descriptor: 5'-D(*TP*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP* AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*T)-3', MAGNESIUM ION, T-BOX TRANSCRIPTION FACTOR TBX3
Authors:Coll, M, Muller, C.W.
Deposit date:2001-06-13
Release date:2002-04-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the DNA-Bound T-Box Domain of Human Tbx3, a Transcription Factor Responsible for Ulnar- Mammary Syndrome
Structure, 10, 2002
7ZAN
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BU of 7zan by Molmil
Crystal Structure of human IL-17A in complex with IL-17RA and IL-17RC
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17 receptor A, Interleukin-17A, ...
Authors:Rondeau, J.M, Goepfert, A.
Deposit date:2022-03-22
Release date:2022-10-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (5.061 Å)
Cite:IL-17-induced dimerization of IL-17RA drives the formation of the IL-17 signalosome to potentiate signaling.
Cell Rep, 41, 2022
8GCR
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BU of 8gcr by Molmil
HPV16 E6-E6AP-p53 complex
Descriptor: Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ...
Authors:Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H.
Deposit date:2023-03-02
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structure of the p53 degradation complex from HPV16.
Nat Commun, 15, 2024
3ZG1
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BU of 3zg1 by Molmil
NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Girard, E, Coves, J.
Deposit date:2012-12-13
Release date:2013-10-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Metal Sensing and Signal Transduction by Cnrx from Cupriavidus Metallidurans Ch34: Role of the Only Methionine Assessed by a Functional, Spectroscopic, and Theoretical Study
Metallomics, 6, 2014

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