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6LGM
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BU of 6lgm by Molmil
Crystal structure of an oxido-reductase with mutation and inhibitor
Descriptor: Dimethyl fumarate, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yang, Y, Lei, J, Yin, L.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an oxido-reductase with mutation and inhibitor
To Be Published
6LGQ
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BU of 6lgq by Molmil
The crystal complex structure of histidine kinase and response regulator
Descriptor: DNA-binding response regulator, Histidine kinase KdpD
Authors:Ming, Q.X.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal complex structure of histidine kinase and response regulator
To Be Published
6LGP
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BU of 6lgp by Molmil
cryo-EM structure of TRPV3 in lipid nanodisc
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, DIUNDECYL PHOSPHATIDYL CHOLINE, Transient receptor potential cation channel subfamily V member 3
Authors:Shimada, H, Kusakizako, T, Nishizawa, T, Nureki, O.
Deposit date:2019-12-05
Release date:2020-06-24
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The structure of lipid nanodisc-reconstituted TRPV3 reveals the gating mechanism.
Nat.Struct.Mol.Biol., 27, 2020
6V6S
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BU of 6v6s by Molmil
Structure of the native human gamma-tubulin ring complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Gamma-tubulin complex component 2, ...
Authors:Wieczorek, M, Urnavicius, L, Ti, S, Molloy, K.R, Chait, B.T, Kapoor, T.M.
Deposit date:2019-12-05
Release date:2020-01-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Asymmetric Molecular Architecture of the Human gamma-Tubulin Ring Complex.
Cell, 180, 2020
6V6M
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BU of 6v6m by Molmil
Crystal structure of an inactive state of GMPPNP-bound RhoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6F
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BU of 6v6f by Molmil
Crystal structure of Q61L KRAS(GMPPNP)-NF1(GRD)-SPRED1(EVH1) complex
Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Yan, W, Simanshu, D.K.
Deposit date:2019-12-05
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.542 Å)
Cite:Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR.
Cell Rep, 32, 2020
6V6L
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BU of 6v6l by Molmil
Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
Descriptor: 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION
Authors:Bussiere, D.E, Fang, E, Shu, W.
Deposit date:2019-12-05
Release date:2020-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6TMY
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BU of 6tmy by Molmil
Crystal structure of isoform CBd of the basic phospholipase A2 subunit of crotoxin from Crotalus durissus terrificus
Descriptor: CHLORIDE ION, Phospholipase A2 crotoxin basic subunit CBc, SODIUM ION, ...
Authors:Nemecz, D, Ostrowski, M, Saul, F.A, Faure, G.
Deposit date:2019-12-05
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Isoform CBd of the Basic Phospholipase A 2 Subunit of Crotoxin: Description of the Structural Framework of CB for Interaction with Protein Targets.
Molecules, 25, 2020
6V5C
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BU of 6v5c by Molmil
Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - partially docked state
Descriptor: Microprocessor complex subunit DGCR8, Pri-miR-16-2 (66-MER), Ribonuclease 3
Authors:Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y.
Deposit date:2019-12-04
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
6V65
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BU of 6v65 by Molmil
Crystal structure of KRAS(GMPPNP)-NF1(GRD)-SPRED1 complex
Descriptor: FORMIC ACID, GTPase KRas, MAGNESIUM ION, ...
Authors:Yan, W, Simanshu, D.K.
Deposit date:2019-12-04
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.763 Å)
Cite:Structural Insights into the SPRED1-Neurofibromin-KRAS Complex and Disruption of SPRED1-Neurofibromin Interaction by Oncogenic EGFR.
Cell Rep, 32, 2020
6V6A
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BU of 6v6a by Molmil
Inhibitory scaffolding of the ancient MAPK, ERK7
Descriptor: 1,2-ETHANEDIOL, Apical Cap Protein 9 (AC9), Mitogen-activated protein kinase
Authors:Dewangan, P.S, O'Shaughnessy, W.J, Back, P.S, Hu, X, Bradley, P.J, Reese, M.L.
Deposit date:2019-12-04
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ancient MAPK ERK7 is regulated by an unusual inhibitory scaffold required forToxoplasmaapical complex biogenesis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6V5T
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BU of 6v5t by Molmil
Crystal structure of human prethrombin-2 with tryptophans replaced by 5-F-tryptophan
Descriptor: GLYCEROL, Prothrombin, SULFATE ION
Authors:Ruben, E.A, Chen, Z, Di Cera, E.
Deposit date:2019-12-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
6V64
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BU of 6v64 by Molmil
Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Ruben, E.A, Chen, Z, Di Cera, E.
Deposit date:2019-12-04
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2.
J.Biol.Chem., 295, 2020
6V5B
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BU of 6v5b by Molmil
Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - Active state
Descriptor: CALCIUM ION, Microprocessor complex subunit DGCR8, Pri-miR-16-2 (78-MER), ...
Authors:Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y.
Deposit date:2019-12-04
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
6V5V
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BU of 6v5v by Molmil
Structure of gamma-tubulin in the native human gamma-tubulin ring complex
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Tubulin gamma-1 chain
Authors:Wieczorek, M, Urnavicius, L, Ti, S, Molloy, K.R, Chait, B.T, Kapoor, T.M.
Deposit date:2019-12-04
Release date:2020-01-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric Molecular Architecture of the Human gamma-Tubulin Ring Complex.
Cell, 180, 2020
6V5L
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BU of 6v5l by Molmil
The HADDOCK structure model of GDP KRas in complex with its allosteric inhibitor E22
Descriptor: (2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, X, Gupta, A.K, Prakash, P, Putkey, J.P, Gorfe, A.A.
Deposit date:2019-12-04
Release date:2019-12-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multi target ensemble based virtual screening yields novel allosteric KRAS inhibitors at high success rate
Chemical Biology & Drug Design, 94, 2019
6TMK
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BU of 6tmk by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, composite model
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Muhleip, A, Kock Flygaard, R, Amunts, A.
Deposit date:2019-12-04
Release date:2020-12-16
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TMH
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BU of 6tmh by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, OSCP/F1/c-ring model
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha,subunit alpha, ...
Authors:Muhleip, A, Kock Flygaard, R, Amunts, A.
Deposit date:2019-12-04
Release date:2020-12-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TML
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BU of 6tml by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase hexamer, composite model
Descriptor: ATP synthase subunit alpha, ATP synthase subunit beta, ATP synthase subunit delta, ...
Authors:Muhleip, A, Kock Flygaard, R, Amunts, A.
Deposit date:2019-12-04
Release date:2020-12-16
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TMF
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BU of 6tmf by Molmil
Structure of an archaeal ABCE1-bound ribosomal post-splitting complex
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Kratzat, H, Becker, T, Tampe, R, Beckmann, R.
Deposit date:2019-12-04
Release date:2020-02-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular analysis of the ribosome recycling factor ABCE1 bound to the 30S post-splitting complex.
Embo J., 39, 2020
6TMI
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BU of 6tmi by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, peripheral stalk model
Descriptor: ATP synthase subunit alpha, ATPTG12, Oligomycin sensitivity conferring protein (OSCP), ...
Authors:Muhleip, A, Kock Flygaard, R, Amunts, A.
Deposit date:2019-12-04
Release date:2020-12-16
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TMG
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BU of 6tmg by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, membrane region model
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATPTG1, ...
Authors:Muhleip, A, Kock Flygaard, R, Amunts, A.
Deposit date:2019-12-04
Release date:2020-12-16
Last modified:2021-01-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6LFM
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BU of 6lfm by Molmil
Cryo-EM structure of a class A GPCR
Descriptor: C-X-C chemokine receptor type 2, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, Z.J, Hua, T, Liu, K.W, Wu, L.J.
Deposit date:2019-12-03
Release date:2020-09-02
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of CXC chemokine receptor 2 activation and signalling.
Nature, 585, 2020
6LFO
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BU of 6lfo by Molmil
Cryo-EM structure of a class A GPCR monomer
Descriptor: C-X-C chemokine receptor type 2, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Liu, Z.J, Hua, T, Liu, K.W, Wu, L.J.
Deposit date:2019-12-03
Release date:2020-09-02
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of CXC chemokine receptor 2 activation and signalling.
Nature, 585, 2020
6LFL
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BU of 6lfl by Molmil
Crystal structure of a class A GPCR
Descriptor: 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide, C-X-C chemokine receptor type 2,GlgA glycogen synthase,C-X-C chemokine receptor type 2
Authors:Liu, Z.J, Hua, T, Liu, K.W, Wu, L.J.
Deposit date:2019-12-03
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of CXC chemokine receptor 2 activation and signalling.
Nature, 585, 2020

223790

數據於2024-08-14公開中

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