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8EM8
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BU of 8em8 by Molmil
Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
Descriptor: UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ...
Authors:Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-09-27
Release date:2022-11-02
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials.
J.Med.Chem., 67, 2024
7XOR
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BU of 7xor by Molmil
Cryo-EM structure of occupied ring subunit 3 (OR3) of GroEL from GroEL-UGT1A double occupied ring complex
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
7Y7L
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BU of 7y7l by Molmil
Solution structure of zinc finger domain 2 of human ZFAND1
Descriptor: AN1-type zinc finger protein 1, ZINC ION
Authors:Fang, P.J, Lai, C.H, Ko, K.T, Chang, C.F, Hsu, S.T.D.
Deposit date:2022-06-22
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of p97 recognition by human ZFAND1
To Be Published
7YAB
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BU of 7yab by Molmil
Solution structure of zinc finger domain 1 of human ZFAND1
Descriptor: AN1-type zinc finger protein 1, ZINC ION
Authors:Fang, P.J, Lai, C.H, Ko, K.T, Chang, C.F, Hsu, S.T.D.
Deposit date:2022-06-27
Release date:2023-06-28
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis of p97 recognition by human ZFAND1
To Be Published
2RLZ
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BU of 2rlz by Molmil
Solid-State MAS NMR structure of the dimer Crh
Descriptor: HPr-like protein crh
Authors:Loquet, A, Bardiaux, B, Gardiennet, C, Blanchet, C, Baldus, M, Nilges, M, Malliavin, T, Bockmann, A.
Deposit date:2007-09-04
Release date:2008-06-17
Last modified:2024-05-29
Method:SOLID-STATE NMR
Cite:3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints.
J.Am.Chem.Soc., 130, 2008
4RUS
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BU of 4rus by Molmil
Carp Fishelectin, holo form
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Capaldi, S, Faggion, B, Carrizo, M.E, Destefanis, L, Gonzalez, M.C, Perduca, M, Bovi, M, Galliano, M, Monaco, H.L.
Deposit date:2014-11-21
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Three-dimensional structure and ligand-binding site of carp fishelectin (FEL).
Acta Crystallogr.,Sect.D, 71, 2015
4RWK
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BU of 4rwk by Molmil
Crystal structure of V561M FGFR1 gatekeeper mutation (C488A, C584S, V561M) in complex with N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE (AZD4547)
Descriptor: Fibroblast growth factor receptor 1, MAGNESIUM ION, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.982 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
6M4D
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BU of 6m4d by Molmil
Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2
Descriptor: DNA (125-MER), Histone H2A.V, Histone H2B type 2-E, ...
Authors:Zhou, M, Dai, L.C, Li, C.M, Shi, L.X, Huang, Y, Guo, Z.Q.
Deposit date:2020-03-06
Release date:2020-09-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of nucleosome dynamics modulation by histone variants H2A.B and H2A.Z.2.2.
Embo J., 40, 2021
4RXX
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BU of 4rxx by Molmil
Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Shen, L, Hu, J, Li, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2014-12-12
Release date:2015-01-21
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of the N-terminal Domain of Human Ubiquitin Specific Protease 38
to be published
4YKK
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BU of 4ykk by Molmil
Mnemiopsis leidyi ML032222a iGluR LBD D-serine complex
Descriptor: D-SERINE, GLYCINE, MAGNESIUM ION, ...
Authors:Alberstein, R.G, Mayer, M.L.
Deposit date:2015-03-04
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Glycine activated ion channel subunits encoded by ctenophore glutamate receptor genes.
Proc.Natl.Acad.Sci.USA, 112, 2015
7UD0
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BU of 7ud0 by Molmil
Room Temperature Drosophila Cryptochrome
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Schneps, C.M, Crane, B.R.
Deposit date:2022-03-17
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Room-temperature serial synchrotron crystallography of Drosophila cryptochrome.
Acta Crystallogr D Struct Biol, 78, 2022
7L0Q
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BU of 7l0q by Molmil
Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G.
Deposit date:2020-12-12
Release date:2021-01-06
Last modified:2021-03-31
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs.
Nat.Struct.Mol.Biol., 28, 2021
5DBL
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BU of 5dbl by Molmil
Crystal structure of the Staphylococcus aureus SasG E1-G52 Y625W mutant
Descriptor: Surface protein G
Authors:Whelan, F, Potts, J.R.
Deposit date:2015-08-21
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Disorder drives cooperative folding in a multidomain protein.
Proc.Natl.Acad.Sci.USA, 113, 2016
6MG8
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BU of 6mg8 by Molmil
Structural basis for cholesterol transport-like activity of the Hedgehog receptor Patched
Descriptor: CHOLESTEROL, Protein patched homolog 1
Authors:Zhang, Y, Bulkley, D, Xin, Y, Roberts, K.J, Asarnow, D.E, Sharma, A, Myers, B.R, Cho, W, Cheng, Y, Beachy, P.A.
Deposit date:2018-09-13
Release date:2018-11-28
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural Basis for Cholesterol Transport-like Activity of the Hedgehog Receptor Patched.
Cell, 175, 2018
4RWJ
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BU of 4rwj by Molmil
Crystal Structure of FGFR1 (C488A, C584S) in complex with AZD4547 (N-{3-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-5-YL}-4-[(3R,5S)-3,5-DIMETHYLPIPERAZIN-1-YL]BENZAMIDE)
Descriptor: Fibroblast growth factor receptor 1, N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]benzamide
Authors:Sohl, C.D, Anderson, K.S.
Deposit date:2014-12-04
Release date:2015-04-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.489 Å)
Cite:Illuminating the Molecular Mechanisms of Tyrosine Kinase Inhibitor Resistance for the FGFR1 Gatekeeper Mutation: The Achilles' Heel of Targeted Therapy.
Acs Chem.Biol., 10, 2015
7Y4T
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BU of 7y4t by Molmil
Crystal structure of cMET kinase domain bound by compound 9I
Descriptor: 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7Y4U
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BU of 7y4u by Molmil
Crystal structure of cMET kinase domain bound by compound 9Y
Descriptor: Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Authors:Qu, L.Z, Chen, Y.H.
Deposit date:2022-06-16
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7VCK
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BU of 7vck by Molmil
NMR solution structures of a hairpin formed by GGCCTG repeats
Descriptor: DNA (5'-D(*GP*GP*CP*CP*TP*GP*GP*GP*CP*CP*TP*G)-3'), SODIUM ION
Authors:Yi, J, Wan, L, Guo, P.
Deposit date:2021-09-03
Release date:2022-02-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR solution structures of d(GGCCTG)n repeats associated with spinocerebellar ataxia type 36.
Int.J.Biol.Macromol., 201, 2022
5D6L
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BU of 5d6l by Molmil
beta2AR-T4L - CIM
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, ACETAMIDE, ...
Authors:Ma, P, Caffrey, M.
Deposit date:2015-08-12
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The cubicon method for concentrating membrane proteins in the cubic mesophase.
Nat Protoc, 12, 2017
7EN4
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BU of 7en4 by Molmil
Multi-state structure determination and dynamics analysis elucidate a new ubiquitin-recognition mechanism of yeast ubiquitin C-terminal hydrolase.
Descriptor: Ubiquitin carboxyl-terminal hydrolase YUH1
Authors:Okada, M, Tateishi, Y, Nojiri, E, Mikawa, T, Rajesh, S, Ogasawa, H, Ueda, T, Yagi, H, Kohno, T, Kigawa, T, Shimada, I, Guentert, P, Yutaka, I, Ikeya, T.
Deposit date:2021-04-15
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Multi-state structure determination and dynamics analysis elucidate a new ubiquitin-recognition mechanism of yeast ubiquitin C-terminal hydrolase.
To Be Published
7URJ
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BU of 7urj by Molmil
Backbone-modified variant of the B domain of Staphylococcal protein A: beta3- and ACPC-residues in helix 2
Descriptor: Staphylococcal protein A
Authors:Santhouse, J.R, Leung, J.M.G, Chong, L.T, Horne, W.S.
Deposit date:2022-04-22
Release date:2023-05-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Effects of altered backbone composition on the folding kinetics and mechanism of an ultrafast-folding protein.
Chem Sci, 15, 2024
7XVR
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BU of 7xvr by Molmil
Structure of neuraminidase from influenza B-like viruses derived from spiny eel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase
Authors:Chai, Y, Gao, F.
Deposit date:2022-05-24
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
5DGG
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BU of 5dgg by Molmil
Central domain of uncharacterized Lpg1148 protein from Legionella pneumophila
Descriptor: CHLORIDE ION, Uncharacterized protein
Authors:Osipiuk, J, Evdokimova, E, Yim, V, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-08-27
Release date:2015-09-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol. Syst. Biol., 12, 2016
6UJI
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BU of 6uji by Molmil
Low resolution crystal structure (5.5 A) of the anthrax toxin protective antigen heptamer prepore D425A mutant
Descriptor: Protective antigen PA-63
Authors:Lovell, S, Mehzabeen, N, Battaile, K.P, Bann, J.G.
Deposit date:2019-10-03
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structure of the anthrax protective antigen D425A dominant negative mutant reveals a stalled intermediate state of pore maturation.
J.Mol.Biol., 2022
6ZLE
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BU of 6zle by Molmil
Solution structure of unliganded MLKL executioner domain
Descriptor: Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Nar, H, Zeeb, M.
Deposit date:2020-06-30
Release date:2020-12-16
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020

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数据于2024-09-11公开中

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