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6BG5
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BU of 6bg5 by Molmil
Structure of 1-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1-propylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea bound to DCN1
Descriptor: Endolysin, DCN1-like protein 1 chimera, N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
6BG3
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BU of 6bg3 by Molmil
Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl acetate bound to DCN1
Descriptor: Endolysin, DCN1-like protein 1 chimera, N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea
Authors:Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T.
Deposit date:2017-10-27
Release date:2018-09-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Piperidinyl Ureas Chemically Control Defective in Cullin Neddylation 1 (DCN1)-Mediated Cullin Neddylation.
J. Med. Chem., 61, 2018
6D9M
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BU of 6d9m by Molmil
T4-Lysozyme fusion to Geobacter GGDEF
Descriptor: ACETATE ION, Fusion protein of Endolysin,Response receiver sensor diguanylate cyclase, GAF domain-containing, ...
Authors:Hallberg, Z, Doxzen, K, Kranzusch, P.J, Hammond, M.
Deposit date:2018-04-30
Release date:2019-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure and mechanism of a Hypr GGDEF enzyme that activates cGAMP signaling to control extracellular metal respiration.
Elife, 8, 2019
6P5W
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BU of 6p5w by Molmil
Structure of DCN1 bound to 3-methyl-N-((4S,5S)-3-methyl-6-oxo-1-phenyl-4-(p-tolyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
Descriptor: 3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide, Lysozyme,DCN1-like protein 1 chimera
Authors:Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A.
Deposit date:2019-05-31
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62, 2019
6P5V
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BU of 6p5v by Molmil
Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme,DCN1-like protein 1 fusion, N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide
Authors:Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A.
Deposit date:2019-05-31
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation.
J.Med.Chem., 62, 2019
5YQR
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BU of 5yqr by Molmil
Crystal structure of the PH-like domain of Lam6
Descriptor: Endolysin/Membrane-anchored lipid-binding protein LAM6 fusion protein, NONAETHYLENE GLYCOL
Authors:Tong, J, Im, Y.J.
Deposit date:2017-11-07
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural basis of sterol recognition and nonvesicular transport by lipid transfer proteins anchored at membrane contact sites
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2QB0
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BU of 2qb0 by Molmil
Structure of the 2TEL crystallization module fused to T4 lysozyme with an Ala-Gly-Pro linker.
Descriptor: MANGANESE (II) ION, Transcription factor ETV6, Transcription factor ETV6,Endolysin
Authors:Nauli, S, Bowie, J.U.
Deposit date:2007-06-15
Release date:2008-10-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Polymer-driven crystallization.
Protein Sci., 16, 2007
2QAR
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BU of 2qar by Molmil
Structure of the 2TEL crystallization module fused to T4 lysozyme with a helical linker.
Descriptor: AMMONIUM ION, E80-TELSAM domain, Lysozyme, ...
Authors:Nauli, S, Bowie, J.U.
Deposit date:2007-06-15
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Polymer-driven crystallization.
Protein Sci., 16, 2007
7KWA
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BU of 7kwa by Molmil
Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide
Descriptor: Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
Authors:Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C.
Deposit date:2020-11-30
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.572 Å)
Cite:Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
J.Med.Chem., 64, 2021
1PDL
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BU of 1pdl by Molmil
Fitting of gp5 in the cryoEM reconstruction of the bacteriophage T4 baseplate
Descriptor: Tail-associated lysozyme
Authors:Kostyuchenko, V.A, Leiman, P.G, Chipman, P.R, Kanamaru, S, van Raaij, M.J, Arisaka, F, Mesyanzhinov, V.V, Rossmann, M.G.
Deposit date:2003-05-19
Release date:2003-09-09
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (12 Å)
Cite:Three-dimensional structure of the bacteriophage T4 baseplate
Nat.Struct.Biol., 10, 2003
1WTH
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BU of 1wth by Molmil
Crystal structure of gp5-S351L mutant and gp27 complex
Descriptor: Baseplate structural protein Gp27, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Kanamaru, S, Ishiwata, Y, Suzuki, T, Rossmann, M.G, Arisaka, F.
Deposit date:2004-11-23
Release date:2005-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Control of bacteriophage t4 tail lysozyme activity during the infection process
J.Mol.Biol., 346, 2005
1K28
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BU of 1k28 by Molmil
The Structure of the Bacteriophage T4 Cell-Puncturing Device
Descriptor: BASEPLATE STRUCTURAL PROTEIN GP27, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Kanamaru, S, Leiman, P.G, Kostyuchenko, V.A, Chipman, P.R, Mesyanzhinov, V.V, Arisaka, F, Rossmann, M.G.
Deposit date:2001-09-26
Release date:2002-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the cell-puncturing device of bacteriophage T4.
Nature, 415, 2002
4OO9
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BU of 4oo9 by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator mavoglurant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mavoglurant, Metabotropic glutamate receptor 5, ...
Authors:Dore, A.S, Okrasa, K, Patel, J.C, Serrano-Vega, M, Bennett, K, Cooke, R.M, Errey, J.C, Jazayeri, A, Khan, S, Tehan, B, Weir, M, Wiggin, G.R, Marshall, F.H.
Deposit date:2014-01-31
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of class C GPCR metabotropic glutamate receptor 5 transmembrane domain.
Nature, 511, 2014
3V2W
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BU of 3v2w by Molmil
Crystal Structure of a Lipid G protein-Coupled Receptor at 3.35A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sphingosine 1-phosphate receptor 1, Lysozyme chimera, ...
Authors:Hanson, M.A, Roth, C.B, Jo, E, Griffith, M.T, Scott, F.L, Reinhart, G, Desale, H, Clemons, B, Cahalan, S.M, Schuerer, S.C, Sanna, M.G, Han, G.W, Kuhn, P, Rosen, H, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2011-12-12
Release date:2012-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of a lipid G protein-coupled receptor.
Science, 335, 2012
8JWY
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BU of 8jwy by Molmil
Crystal structure of A2AR-T4L in complex with 2-118
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[2-oxidanylidene-1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]pyridin-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
8JWZ
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BU of 8jwz by Molmil
Crystal structure of A2AR-T4L in complex with AB928
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, Adenosine receptor A2a,Endolysin, ...
Authors:Weng, Y, Chen, Y, Xu, Y, Song, G.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural insight into the dual-antagonistic mechanism of AB928 on adenosine A 2 receptors.
Sci China Life Sci, 67, 2024
7P2L
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BU of 7p2l by Molmil
thermostabilised 7TM domain of human mGlu5 receptor bound to photoswitchable ligand alloswitch-1
Descriptor: 2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5
Authors:Huang, C.Y, Vinothkumar, K.R, Lebon, G.
Deposit date:2021-07-06
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations.
Cell Rep, 36, 2021
4U16
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BU of 4u16 by Molmil
M3-mT4L receptor bound to NMS
Descriptor: D(-)-TARTARIC ACID, Muscarinic acetylcholine receptor M3,Lysozyme,Muscarinic acetylcholine receptor M3, N-methyl scopolamine
Authors:Thorsen, T.S, Matt, R, Weis, W.I, Kobilka, B.
Deposit date:2014-07-15
Release date:2014-11-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Modified T4 Lysozyme Fusion Proteins Facilitate G Protein-Coupled Receptor Crystallogenesis.
Structure, 22, 2014
8EIT
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BU of 8eit by Molmil
Structure of FFAR1-Gq complex bound to DHA
Descriptor: A modified Guanine nucleotide-binding protein G(q) subunit alpha, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ...
Authors:Kumari, P, Inoue, A, Chapman, K, Lian, P, Rosenbaum, D.M.
Deposit date:2022-09-15
Release date:2023-05-24
Last modified:2023-05-31
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of fatty acid activation of FFAR1.
Proc.Natl.Acad.Sci.USA, 120, 2023
5NDZ
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BU of 5ndz by Molmil
Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ3451 at 3.6 angstrom resolution
Descriptor: 2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide, Lysozyme,Proteinase-activated receptor 2,Soluble cytochrome b562,Proteinase-activated receptor 2, SODIUM ION
Authors:Cheng, R.K.Y, Fiez-Vandal, C, Schlenker, O, Edman, K, Aggeler, B, Brown, D.G, Brown, G, Cooke, R.M, Dumelin, C.E, Dore, A.S, Geschwindner, S, Grebner, C, Hermansson, N.-O, Jazayeri, A, Johansson, P, Leong, L, Prihandoko, R, Rappas, M, Soutter, H, Snijder, A, Sundstrom, L, Tehan, B, Thornton, P, Troast, D, Wiggin, G, Zhukov, A, Marshall, F.H, Dekker, N.
Deposit date:2017-03-09
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into allosteric modulation of protease-activated receptor 2.
Nature, 545, 2017
8DCS
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BU of 8dcs by Molmil
Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
8DCR
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BU of 8dcr by Molmil
Cryo-EM structure of dobutamine-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: DOBUTAMINE, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
8THL
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BU of 8thl by Molmil
Cryo-EM structure of epinephrine-bound alpha-1A-adrenergic receptor in complex with heterotrimeric Gq-protein
Descriptor: Endolysin,Alpha-1A adrenergic receptor, 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, ...
Authors:Su, M, Huang, X.Y.
Deposit date:2023-07-17
Release date:2023-08-16
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of agonist specificity of alpha 1A -adrenergic receptor.
Nat Commun, 14, 2023
8THK
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BU of 8thk by Molmil
Cryo-EM structure of A61603-bound alpha-1A-adrenergic receptor in complex with heterotrimeric Gq-protein
Descriptor: Endolysin,Alpha-1A adrenergic receptor, 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, ...
Authors:Su, M, Huang, X.Y.
Deposit date:2023-07-17
Release date:2023-08-16
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis of agonist specificity of alpha 1A -adrenergic receptor.
Nat Commun, 14, 2023
8GTG
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BU of 8gtg by Molmil
Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL
Descriptor: 8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N},~{N}-bis(2-methoxyethyl)-2,7-dimethyl-pyrazolo[1,5-a][1,3,5]triazin-4-amine, Endolysin, Isoform CRF-R2 of Corticotropin-releasing factor receptor 1
Authors:Cho, H.S, Kim, H.
Deposit date:2022-09-08
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Exp.Mol.Med., 55, 2023

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数据于2024-07-10公开中

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