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PDB: 421 件
6RAI
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BU of 6rai by Molmil
Heterodimeric ABC exporter TmrAB in ATP-bound outward-facing occluded conformation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Multidrug resistance ABC transporter ATP-binding and permease protein, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAL
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BU of 6ral by Molmil
Heterodimeric ABC exporter TmrAB under turnover conditions in asymmetric unlocked return conformation
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
6RAF
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BU of 6raf by Molmil
Heterodimeric ABC exporter TmrAB in inward-facing narrow conformation under turnover conditions
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Anti-vesicular stomatitis virus N VHH, ...
著者Thomas, C, Januliene, D, Mehdipour, A.R, Hofmann, S, Hummer, G, Moeller, A, Tampe, R.
登録日2019-04-06
公開日2019-07-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformation space of a heterodimeric ABC exporter under turnover conditions.
Nature, 571, 2019
4WB3
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BU of 4wb3 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a-desArg complement anaphylatoxin
分子名称: ACETATE ION, CALCIUM ION, Complement C5, ...
著者Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
登録日2014-09-02
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
4WB2
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BU of 4wb2 by Molmil
Crystal structure of the mirror-image L-RNA/L-DNA aptamer NOX-D20 in complex with mouse C5a complement anaphylatoxin
分子名称: ACETATE ION, CALCIUM ION, Complement C5, ...
著者Yatime, L, Maasch, C, Hoehlig, K, Klussmann, S, Vater, A, Andersen, G.R.
登録日2014-09-02
公開日2015-05-06
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the targeting of complement anaphylatoxin C5a using a mixed L-RNA/L-DNA aptamer.
Nat Commun, 6, 2015
7RGF
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BU of 7rgf by Molmil
Protocadherin gammaC4 EC1-4 crystal structure disrupted trans interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Goodman, K.M, Mannepalli, S, Honig, B, Shapiro, L.
登録日2021-07-15
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献How clustered protocadherin binding specificity is tuned for neuronal self-/nonself-recognition.
Elife, 11, 2022
3PCQ
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BU of 3pcq by Molmil
Femtosecond X-ray protein Nanocrystallography
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Chapman, H.N, Fromme, P, Barty, A, White, T.A, Kirian, R.A, Aquila, A, Hunter, M.S, Schulz, J, Deponte, D.P, Weierstall, U, Doak, R.B, Maia, F.R.N.C, Martin, A.V, Schlichting, I, Lomb, L, Coppola, N, Shoeman, R.L, Epp, S.W, Hartmann, R, Rolles, D, Rudenko, A, Foucar, L, Kimmel, N, Weidenspointner, G, Holl, P, Liang, M, Barthelmess, M, Caleman, C, Boutet, S, Bogan, M.J, Krzywinski, J, Bostedt, C, Bajt, S, Gumprecht, L, Rudek, B, Erk, B, Schmidt, C, Homke, A, Reich, C, Pietschner, D, Struder, L, Hauser, G, Gorke, H, Ullrich, J, Herrmann, S, Schaller, G, Schopper, F, Soltau, H, Kuhnel, K.-U, Messerschmidt, M, Bozek, J.D, Hau-Riege, S.P, Frank, M, Hampton, C.Y, Sierra, R, Starodub, D, Williams, G.J, Hajdu, J, Timneanu, N, Seibert, M.M, Andreasson, J, Rocker, A, Jonsson, O, Svenda, M, Stern, S, Nass, K, Andritschke, R, Schroter, C.-D, Krasniqi, F, Bott, M, Schmidt, K.E, Wang, X, Grotjohann, I, Holton, J.M, Barends, T.R.M, Neutze, R, Marchesini, S, Fromme, R, Schorb, S, Rupp, D, Adolph, M, Gorkhover, T, Andersson, I, Hirsemann, H, Potdevin, G, Graafsma, H, Nilsson, B, Spence, J.C.H.
登録日2010-10-21
公開日2011-02-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (8.984 Å)
主引用文献Femtosecond X-ray protein nanocrystallography.
Nature, 470, 2011
2MUS
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BU of 2mus by Molmil
HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
分子名称: 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s
著者Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A.
登録日2014-09-16
公開日2017-02-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
7A5Y
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BU of 7a5y by Molmil
Crystal structure of tetrameric human H215A-SAMHD1 (residues 109-626) with Rp-dGTP-alphaS (T8T) and Mg
分子名称: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Morris, E.R, Kunzelmann, S, Caswell, S.J, Purkiss, A, Taylor, I.A.
登録日2020-08-24
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Probing the Catalytic Mechanism and Inhibition of SAMHD1 Using the Differential Properties of R p - and S p -dNTP alpha S Diastereomers.
Biochemistry, 60, 2021
2JNR
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BU of 2jnr by Molmil
Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide
分子名称: ENV polyprotein, VIR165
著者Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F.
登録日2007-02-01
公開日2007-05-08
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
6ZTB
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BU of 6ztb by Molmil
Crystal Structure of human P-Cadherin EC1_EC2
分子名称: CALCIUM ION, Cadherin-3, SODIUM ION
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-17
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
6ZTF
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BU of 6ztf by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684
分子名称: CQY684 Fab heavy-chain, CQY684 Fab light-chain
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
6ZTR
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BU of 6ztr by Molmil
Crystal Structure of the anti-human P-Cadherin Fab CQY684 in complex with human P-Cadherin(108-324)
分子名称: CALCIUM ION, CQY684 Fab heavy-chain, CQY684 Fab light-chain, ...
著者Rondeau, J.M, Lehmann, S.
登録日2020-07-20
公開日2021-05-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PCA062, a P-cadherin Targeting Antibody-Drug Conjugate, Displays Potent Antitumor Activity Against P-cadherin-expressing Malignancies.
Mol.Cancer Ther., 20, 2021
4WTY
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BU of 4wty by Molmil
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
分子名称: CHLORIDE ION, GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ...
著者Bruder, L.M, Mosimann, S.C.
登録日2014-10-30
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
2LBU
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BU of 2lbu by Molmil
HADDOCK calculated model of Congo red bound to the HET-s amyloid
分子名称: Small s protein, sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate)
著者Schutz, A.K, Soragni, A, Hornemann, S, Aguzzi, A, Ernst, M, Bockmann, A, Meier, B.H.
登録日2011-04-07
公開日2011-06-01
最終更新日2024-05-01
実験手法SOLID-STATE NMR
主引用文献The Amyloid-Congo Red Interface at Atomic Resolution.
Angew.Chem.Int.Ed.Engl., 2011
6ZWT
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BU of 6zwt by Molmil
Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter baumannii
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Lucchini, V, Trebosc, V, Gartenmann, S, Pieren, M, Kemmer, C, Kammerer, R.A.
登録日2020-07-28
公開日2021-08-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting virulence regulation to disarm Acinetobacter baumannii pathogenesis.
Virulence, 13, 2022
4P86
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BU of 4p86 by Molmil
Structure of PyrR protein from Bacillus subtilis with GMP
分子名称: Bifunctional protein PyrR, GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
3E7X
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BU of 3e7x by Molmil
Crystal structure of DLTA: implications for the reaction mechanism of non-ribosomal peptide synthetase (NRPS) adenylation domains
分子名称: ADENOSINE MONOPHOSPHATE, D-alanine--poly(phosphoribitol) ligase subunit 1
著者Yonus, H, Neumann, P, Zimmermann, S, May, J.J, Marahiel, M.A, Stubbs, M.T.
登録日2008-08-19
公開日2008-09-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains
J.Biol.Chem., 283, 2008
4P84
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BU of 4p84 by Molmil
Structure of engineered PyrR protein (VIOLET PyrR)
分子名称: Bifunctional protein PyrR, GLYCEROL, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
7AO7
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BU of 7ao7 by Molmil
Structure of CYP153A from Polaromonas sp. in complex with octan-1-ol
分子名称: Cytochrome P450, OCTAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE
著者Zukic, E, Rowlinson, B, Sharma, M, Hoffmann, S, Hauer, B, Grogan, G.
登録日2020-10-13
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Substrate Anchoring and Flexibility Reduction in CYP153AM.aq Leads to Highly Improved Efficiency toward Octanoic Acid
Acs Catalysis, 11, 2021
4P81
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BU of 4p81 by Molmil
Structure of ancestral PyrR protein (AncORANGEPyrR)
分子名称: Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-29
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P82
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BU of 4p82 by Molmil
Structure of PyrR protein from Bacillus subtilis
分子名称: Bifunctional protein PyrR, SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-30
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P3K
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BU of 4p3k by Molmil
Structure of ancestral PyrR protein (PLUMPyrR)
分子名称: Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ...
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-08
公開日2014-12-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P80
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BU of 4p80 by Molmil
Structure of ancestral PyrR protein (AncGREENPyrR)
分子名称: Ancestral PyrR protein (Green), SULFATE ION
著者Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
登録日2014-03-29
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4WU2
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BU of 4wu2 by Molmil
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate
分子名称: CHLORIDE ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, GLYCEROL, ...
著者Bruder, L.M, Mosimann, S.C.
登録日2014-10-30
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate
To Be Published

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件を2024-09-04に公開中

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