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5MIZ
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BU of 5miz by Molmil
MD ensemble of bovine insulin
分子名称: Insulin
著者Efimov, S.V, Zgadzay, Y.O, Klochkov, V.V.
登録日2016-11-29
公開日2017-01-25
最終更新日2019-05-08
実験手法SOLUTION NMR
主引用文献MD ensemble of bovine insulin
To Be Published
5MKS
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BU of 5mks by Molmil
HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation
分子名称: 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate, Heat shock 70 kDa protein 1A
著者Pettinger, J, Westwood, I.M, Cronin, N, Le Bihan, Y.-V, Van Montfort, R.L.M.
登録日2016-12-05
公開日2017-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56.
Angew. Chem. Int. Ed. Engl., 56, 2017
5CMV
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BU of 5cmv by Molmil
Ultrafast dynamics in myoglobin: dark-state, CO-ligated structure
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5CND
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BU of 5cnd by Molmil
Ultrafast dynamics in myoglobin: 3 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5MOP
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BU of 5mop by Molmil
Joint X-ray/neutron structure of cationic trypsin in its apo form
分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION
著者Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G.
登録日2016-12-14
公開日2018-01-17
最終更新日2024-05-01
実験手法NEUTRON DIFFRACTION (0.99 Å), X-RAY DIFFRACTION
主引用文献Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
5CN5
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BU of 5cn5 by Molmil
Ultrafast dynamics in myoglobin: 0 ps time delay
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I.
登録日2015-07-17
公開日2015-09-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
5MRS
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BU of 5mrs by Molmil
Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A.
登録日2016-12-26
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF
To Be Published
5C6C
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BU of 5c6c by Molmil
PKG II's Amino Terminal Cyclic Nucleotide Binding Domain (CNB-A) in a complex with cAMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CADMIUM ION, ...
著者Campbell, J.C, Reger, A.S, Huang, G.Y, Sankaran, B, Kim, J.J, Kim, C.W.
登録日2015-06-22
公開日2016-01-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II.
J.Biol.Chem., 291, 2016
8ILW
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BU of 8ilw by Molmil
Transcription factor LMX1a homeobox domain in complex with Pitx3 promoter
分子名称: DNA (5'-D(*CP*AP*AP*CP*AP*CP*TP*TP*AP*AP*TP*CP*CP*AP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*TP*GP*GP*AP*TP*TP*AP*AP*GP*TP*GP*TP*T)-3'), LMX1A factor
著者Lv, M.Q, Lin, L.Q.
登録日2023-03-04
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.712 Å)
主引用文献Structural insights into the recognition of the A/T-rich motif in target gene promoters by the LMX1a homeobox domain
Febs J., 2024
8IMW
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BU of 8imw by Molmil
Crystal structure of response regulator PmrA receiver domain
分子名称: Transcriptional regulator
著者Ouyang, Z, Wen, Y.
登録日2023-03-07
公開日2024-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mechanistic and biophysical characterization of polymyxin resistance response regulator PmrA in Acinetobacter baumannii.
Front Microbiol, 15, 2024
8IEI
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BU of 8iei by Molmil
Cryo-EM structure of GPR156A/B of G-protein free GPR156 (local refine)
分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Shin, J, Park, J, Cho, Y.
登録日2023-02-15
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
5MVA
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BU of 5mva by Molmil
Structure of the thin filament at high calcium concentration
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle
著者Paul, D.M, Squire, J.M, Morris, E.P.
登録日2017-01-16
公開日2017-11-29
実験手法ELECTRON MICROSCOPY (27.700001 Å)
主引用文献Relaxed and active thin filament structures; a new structural basis for the regulatory mechanism.
J. Struct. Biol., 197, 2017
5MJD
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BU of 5mjd by Molmil
metNgb under oxygen at 80 bar
分子名称: Neuroglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Prange, T, Colloc'h, N, Carpentier, P.
登録日2016-11-30
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Ligand pathways in neuroglobin revealed by low-temperature photodissociation and docking experiments.
Iucrj, 6, 2019
5MJJ
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BU of 5mjj by Molmil
Single-shot pink beam serial crystallography: Lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
登録日2016-12-01
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.750092 Å)
主引用文献Single-shot pink beam serial crystallography: Lysozyme
To Be Published
5C6J
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BU of 5c6j by Molmil
Crystal Structure of Gadolinium derivative of HEWL solved using Free-Electron Laser radiation
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N.
登録日2015-06-23
公開日2015-07-08
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
8IEB
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BU of 8ieb by Molmil
Cryo-EM structure of GPR156 of GPR156-miniGo-scFv16 complex (local refine)
分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Shin, J, Park, J, Cho, Y.
登録日2023-02-15
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
5MNC
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BU of 5mnc by Molmil
Cationic trypsin in complex with aniline (deuterated sample at 100 K)
分子名称: ANILINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2017-05-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.916 Å)
主引用文献Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
5MNK
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BU of 5mnk by Molmil
Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
分子名称: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-12-13
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (0.799 Å)
主引用文献Cationic trypsin in complex with benzylamine (deuterated sample at 100 K)
to be published
8IK5
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BU of 8ik5 by Molmil
Transcription factor LMX1a homeobox domain in complex with Wnt1 promoter
分子名称: DNA (5'-D(*CP*CP*AP*TP*AP*TP*TP*TP*AP*AP*TP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*GP*AP*TP*TP*AP*AP*AP*TP*AP*TP*G)-3'), GLYCEROL, ...
著者Lv, M.Q, Lin, L.Q.
登録日2023-02-28
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献Structural insights into the recognition of the A/T-rich motif in target gene promoters by the LMX1a homeobox domain
Febs J., 2024
5CLM
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BU of 5clm by Molmil
1,4-Oxazine BACE1 inhibitors
分子名称: Beta-secretase 1, CHLORIDE ION, IODIDE ION, ...
著者Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H.
登録日2015-07-16
公開日2015-09-30
最終更新日2015-11-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
8IEP
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BU of 8iep by Molmil
Cryo-EM structure of GPR156C/D of G-protein free GPR156 (local refine)
分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Shin, J, Park, J, Cho, Y.
登録日2023-02-15
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.61 Å)
主引用文献Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
5CO6
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BU of 5co6 by Molmil
Crystal structure of human zinc insulin at pH 6.5
分子名称: CHLORIDE ION, Insulin, MAGNESIUM ION, ...
著者Lima, L.M.T.R, PALMIERI, L.C.
登録日2015-07-19
公開日2015-08-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human zinc insulin at pH 6.5
To Be Published
8IEQ
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BU of 8ieq by Molmil
Cryo-EM structure of G-protein free GPR156
分子名称: Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Shin, J, Park, J, Cho, Y.
登録日2023-02-15
公開日2024-02-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
8IKE
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BU of 8ike by Molmil
Transcription factors LMX1a mutant-R199A homeobox domain complex with Wnt1 promoter
分子名称: DNA (5'-D(*CP*CP*AP*TP*AP*TP*TP*TP*AP*AP*TP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*AP*GP*AP*TP*TP*AP*AP*AP*TP*AP*TP*G)-3'), LMX1A factor
著者Lv, M.Q, Lin, L.Q.
登録日2023-02-28
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into the recognition of the A/T-rich motif in target gene promoters by the LMX1a homeobox domain
Febs J., 2024
5M62
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BU of 5m62 by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain in complex with glucose
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
著者Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
登録日2016-10-24
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017

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件を2024-08-14に公開中

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