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3SVJ
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BU of 3svj by Molmil
Strep Peptide Deformylase with a time dependent thiazolidine amide
Descriptor: (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, NICKEL (II) ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2011-07-12
Release date:2011-07-27
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
4NEU
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BU of 4neu by Molmil
X-ray structure of Receptor Interacting Protein 1 (RIP1)kinase domain with a 1-aminoisoquinoline inhibitor
Descriptor: 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea, MAGNESIUM ION, Receptor-interacting serine/threonine-protein kinase 1
Authors:Nolte, R.T, Ward, P, kahler, K.M, Campobasso, N.
Deposit date:2013-10-30
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
ACS Med Chem Lett, 4, 2013
1E5M
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BU of 1e5m by Molmil
Beta ketoacyl acyl carrier protein synthase II (KASII) from Synechocystis sp.
Descriptor: BETA KETOACYL ACYL CARRIER PROTEIN SYNTHASE II
Authors:Moche, M, Edwards, P, Dehesh, K, Lindqvist, Y.
Deposit date:2000-07-27
Release date:2001-01-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The Crystal Structure of Beta-Ketoacyl-Acyl Carrier Protein Synthase II from Synechocystis Sp. At 1.54 A Resolution and its Relationship to Other Condensing Enzymes
J.Mol.Biol., 305, 2001
1B3N
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BU of 1b3n by Molmil
BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN.
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2)
Authors:Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y.
Deposit date:1998-12-14
Release date:1999-04-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase.
J.Biol.Chem., 274, 1999
4A4M
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BU of 4a4m by Molmil
Crystal structure of the light-activated constitutively active N2C, M257Y,D282C rhodopsin mutant in complex with a peptide resembling the C-terminus of the Galpha-protein subunit (GaCT)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN G(T) SUBUNIT ALPHA-3, ...
Authors:Deupi, X, Edwards, P, Singhal, A, Nickle, B, Oprian, D.D, Schertler, G.F.X, Standfuss, J.
Deposit date:2011-10-17
Release date:2012-01-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Stabilized G Protein Binding Site in the Structure of Constitutively Active Metarhodopsin-II.
Proc.Natl.Acad.Sci.USA, 109, 2012
1YYH
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BU of 1yyh by Molmil
Crystal structure of the human Notch 1 ankyrin domain
Descriptor: Notch 1, ankyrin domain
Authors:Ehebauer, M.T, Chirgadze, D.Y, Hayward, P, Martinez-Arias, A, Blundell, T.L.
Deposit date:2005-02-25
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:High-resolution crystal structure of the human Notch 1 ankyrin domain
Biochem.J., 392, 2005
1KAS
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BU of 1kas by Molmil
BETA-KETOACYL-ACP SYNTHASE II FROM ESCHERICHIA COLI
Descriptor: BETA-KETOACYL ACP SYNTHASE II
Authors:Huang, W, Jia, J, Edwards, P, Dehesh, K, Schneider, G, Lindqvist, Y.
Deposit date:1997-12-22
Release date:1999-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of beta-ketoacyl-acyl carrier protein synthase II from E.coli reveals the molecular architecture of condensing enzymes.
EMBO J., 17, 1998
1QXX
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BU of 1qxx by Molmil
CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF TONB
Descriptor: TonB protein
Authors:Koedding, J, Howard, P, Kaufmann, L, Polzer, P, Lustig, A, Welte, W.
Deposit date:2003-09-09
Release date:2004-04-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimerization of TonB is not essential for its binding to the outer membrane siderophore receptor FhuA of Escherichia coli.
J.Biol.Chem., 279, 2004
6NPE
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BU of 6npe by Molmil
C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide
Descriptor: 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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BU of 6npv by Molmil
C-abl Kinase domain with the activator(cmpd51), N-(1-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-4,5-dihydro-1H-pyrazol-3-yl)isonicotinamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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BU of 6npu by Molmil
C-abl Kinase domain with the activator(cmpd29), N-(1-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)acetamide
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, NONAETHYLENE GLYCOL, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
7OAO
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BU of 7oao by Molmil
Nanobody C5 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAQ
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BU of 7oaq by Molmil
Nanobody H3 AND C1 bound to RBD with Kent mutation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CITRIC ACID, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAN
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BU of 7oan by Molmil
Nanobody C5 bound to Spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Naismith, J.H, Weckener, M.
Deposit date:2021-04-19
Release date:2021-08-11
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAY
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BU of 7oay by Molmil
Nanobody F2 bound to RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F2 nanobody, Spike protein S1
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAU
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BU of 7oau by Molmil
Nanobody C5 bound to Kent variant RBD (N501Y)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
Authors:Naismith, J.H, Mikolajek, H.
Deposit date:2021-04-20
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
6YZ5
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BU of 6yz5 by Molmil
H11-D4 complex with SARS-CoV-2 RBD
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Naismith, J.H, Huo, J, Mikolajek, H, Ward, P, Dumoux, M, Owens, R.J, Le Bas, A.
Deposit date:2020-05-06
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:H11-D4 complex with SARS-CoV-2 RBD
To Be Published
6OCQ
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BU of 6ocq by Molmil
Crystal structure of RIP1 kinase in complex with a pyrrolidine
Descriptor: 1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION
Authors:Thorpe, J.H, Harris, P.A.
Deposit date:2019-03-25
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
6R5F
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BU of 6r5f by Molmil
Crystal structure of RIP1 kinase in complex with DHP77
Descriptor: Receptor-interacting serine/threonine-protein kinase 1, [(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
Authors:Thorpe, J.H, Campobasso, N, Harris, P.A.
Deposit date:2019-03-25
Release date:2019-05-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Discovery and Lead-Optimization of 4,5-Dihydropyrazoles as Mono-Kinase Selective, Orally Bioavailable and Efficacious Inhibitors of Receptor Interacting Protein 1 (RIP1) Kinase.
J.Med.Chem., 62, 2019
7T0O
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BU of 7t0o by Molmil
cryoEM reconstruction of the HIV gp140 in complex with the extracellular domains of CD4 and the adnectin domain of Combinectin. The gp140 and CD4 coordinates from entry 6EDU were rigid body fitted to the EM map along withe the crystal structure of CD4+adnectin
Descriptor: Adnectin, BG505 SOSIP.664 gp140, T-cell surface glycoprotein CD4
Authors:Concha, N.O, William, S.P, Wenzel, D.L.
Deposit date:2021-11-30
Release date:2022-01-12
Method:ELECTRON MICROSCOPY (8.7 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
7T0R
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BU of 7t0r by Molmil
Crystal structure of the anti-CD4 adnectin 6940_B01 as a complex with the extracellular domains of CD4 and ibalizumab fAb
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Adnectin 6940_B01, Ibalizumab Heavy Chain, ...
Authors:Williams, S.P, Concha, N.O, Wensel, D.L, Hong, X.
Deposit date:2021-11-30
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Novel Bent Conformation of CD4 Induced by HIV-1 Inhibitor Indirectly Prevents Productive Viral Attachment.
J.Mol.Biol., 434, 2021
6XVI
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BU of 6xvi by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_A12
Descriptor: Outer membrane protein,Outer membrane protein,Mb-Nb207-c7HopQ_A12
Authors:Steyaert, J, Uchanski, T, Fischer, B.
Deposit date:2020-01-22
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6XUX
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BU of 6xux by Molmil
Crystal structure of Megabody Mb-Nb207-cYgjK_NO
Descriptor: CALCIUM ION, Nanobody,Glucosidase YgjK,Glucosidase YgjK,Nanobody
Authors:Steyaert, J, Uchanski, T, Fischer, B.
Deposit date:2020-01-21
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.90000641 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021
6XV8
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BU of 6xv8 by Molmil
Crystal structure of Megabody Mb-Nb207-c7HopQ_G10
Descriptor: Outer membrane protein
Authors:Steyaert, J, Uchanski, T, Fischer, B.
Deposit date:2020-01-21
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Nat.Methods, 18, 2021

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數據於2024-06-26公開中

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