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4D8H
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Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein
著者Blaber, M, Longo, L.
登録日2012-01-10
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
6VLW
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BU of 6vlw by Molmil
Crystal Structure of 426cOD in Complex with VRC01 Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 426cOD, ...
著者Weidle, C, Pancera, M.
登録日2020-01-27
公開日2020-12-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.42 Å)
主引用文献HIV-1 VRC01 Germline-Targeting Immunogens Select Distinct Epitope-Specific B Cell Receptors.
Immunity, 53, 2020
6VM0
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BU of 6vm0 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-1)
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2020-01-27
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
5CCN
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BU of 5ccn by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: DI(HYDROXYETHYL)ETHER, FORMIC ACID, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-02
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
6T89
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Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ...
著者Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O.
登録日2019-10-24
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors
Eur.J.Med.Chem., 2022
8SS4
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BU of 8ss4 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 (apo state)
分子名称: Glutamate receptor 2, Voltage-dependent calcium channel gamma-5 subunit chimera, Protein cornichon homolog 2, ...
著者Yen, L.Y, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-05-08
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SSA
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Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to glutamate and channel blocker spermidine (desensitized state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-05-08
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS5
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BU of 8ss5 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunit TARP gamma-5 (apo state)
分子名称: Glutamate receptor 2, Voltage-dependent calcium channel gamma-5 subunit chimera, SODIUM ION
著者Yen, L.Y, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-05-08
公開日2023-09-06
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SSB
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BU of 8ssb by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to glutamate and channel blocker spermidine (desensitized state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-05-08
公開日2023-09-06
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS2
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BU of 8ss2 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK and channel blocker spermidine (closed state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, Digitonin, ...
著者Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-05-08
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS3
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BU of 8ss3 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK and channel blocker spermidine (closed state)
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, Digitonin, ...
著者Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
登録日2023-05-08
公開日2023-09-06
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
6YO5
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BU of 6yo5 by Molmil
Crystal structure of the M295F variant of Ssl1
分子名称: ALA-HIS-ALA, COPPER (II) ION, Copper oxidase, ...
著者Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
登録日2020-04-14
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
7U2Z
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BU of 7u2z by Molmil
Crystal structure of human GSK3B in complex with G12
分子名称: (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide, CHLORIDE ION, Glycogen synthase kinase-3 beta
著者Tripathi, S.K, Balboni, B, Giabbai, B, Storici, P, Girotto, S, Cavalli, A.
登録日2022-02-25
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Identification of Novel GSK-3 beta Hits Using Competitive Biophysical Assays.
Int J Mol Sci, 23, 2022
4DDQ
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BU of 4ddq by Molmil
Structural plasticity of the Bacillus subtilis GyrA homodimer
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA gyrase subunit A, POTASSIUM ION
著者Rudolph, M.G, Klostermeier, D.
登録日2012-01-19
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mapping the Spectrum of Conformational States of the DNA- and C-Gates in Bacillus subtilis Gyrase.
J.Mol.Biol., 425, 2013
6Y4A
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BU of 6y4a by Molmil
Crystal structure of the M295I variant of Ssl1
分子名称: COPPER (II) ION, Copper oxidase
著者Mielenbrink, S, Olbrich, A, Urlacher, V, Span, I.
登録日2020-02-20
公開日2021-09-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.785 Å)
主引用文献Effect of the axial ligand mutation on spectral and structural properties of Ssl1 laccase
To Be Published
6VM2
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BU of 6vm2 by Molmil
Full length Glycine receptor reconstituted in lipid nanodisc in Gly/IVM-conformation (State-2)
分子名称: (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
著者Kumar, A, Basak, S, Chakrapani, S.
登録日2020-01-27
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs.
Nat Commun, 11, 2020
6VJN
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BU of 6vjn by Molmil
Structure of NHP D11A.B5Fab in complex with 16055 V2b peptide
分子名称: D11A.B5 Fab Heavy chain, D11A.B5 Fab Light chain, SODIUM ION, ...
著者Singh, S, Liban, T.J, Pancera, M.
登録日2020-01-16
公開日2021-01-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6P8M
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BU of 6p8m by Molmil
Crystal Structure of Antibody P-p3b3 A60C Heavy Chain in Complex with 426c HIV-1 gp120 core G459C
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
著者Weidle, C, Pancera, M.
登録日2019-06-07
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.594 Å)
主引用文献Overcoming Steric Restrictions of VRC01 HIV-1 Neutralizing Antibodies through Immunization.
Cell Rep, 29, 2019
5KBI
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BU of 5kbi by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH CATACHOL
分子名称: CATECHOL, MopR, ZINC ION
著者Ray, S, Anand, R, Panjikar, S.
登録日2016-06-03
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016
5CBV
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BU of 5cbv by Molmil
Human Cyclophilin D Complexed with Inhibitor
分子名称: FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ...
著者Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y.
登録日2015-07-01
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Cyclophilin D Complexed with Inhibitor
To Be Published
7ESH
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BU of 7esh by Molmil
Crystal structure of amylosucrase from Calidithermus timidus
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase
著者Tian, Y, Hou, X, Ni, D, Xu, W, Guang, C, Zhang, W, Rao, Y, Mu, W.
登録日2021-05-10
公開日2022-05-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-based interface engineering methodology in designing a thermostable amylose-forming transglucosylase
J.Biol.Chem., 298, 2022
3M6S
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BU of 3m6s by Molmil
Crystal structure of H1N1pdm Hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
著者Yang, H, Carney, P.J, Stevens, J.
登録日2010-03-16
公開日2010-03-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure and Receptor binding properties of a pandemic H1N1 virus hemagglutinin
PLoS Curr, 2010
4D9I
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BU of 4d9i by Molmil
Crystal structure of holo Diaminopropionate ammonia lyase from Escherichia coli
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Diaminopropionate ammonia-lyase
著者Bisht, S, Rajaram, V, Bharath, S.R, Murthy, M.R.N.
登録日2012-01-11
公開日2012-04-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Escherichia coli Diaminopropionate Ammonia-lyase Reveals Mechanism of Enzyme Activation and Catalysis
J.Biol.Chem., 287, 2012
6TJN
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BU of 6tjn by Molmil
Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid
分子名称: 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin
著者Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A.
登録日2019-11-26
公開日2020-12-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.
Bioorg.Med.Chem., 28, 2020
5KBG
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BU of 5kbg by Molmil
CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH OCRESOL
分子名称: MopR, ZINC ION, o-cresol
著者Ray, S, Anand, R, Panjikar, S.
登録日2016-06-03
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator.
Acs Chem.Biol., 11, 2016

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