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6QE4
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BU of 6qe4 by Molmil
Re-refinement of 5OLI human IBA57-I3C
分子名称: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial
著者Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V.
登録日2019-01-04
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
6QE3
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BU of 6qe3 by Molmil
Re-refinement of 6ESR human IBA57 at 1.75 A resolution
分子名称: Putative transferase CAF17, mitochondrial
著者Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L.
登録日2019-01-04
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
7B2H
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BU of 7b2h by Molmil
Crystal structure of the methyl-coenzyme M reductase from Methanothermobacter Marburgensis derivatized with xenon
分子名称: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, CHLORIDE ION, ...
著者Wagner, T, Lemaire, O.N, Engilberge, S.
登録日2020-11-27
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of a key enzyme for anaerobic ethane activation.
Science, 373, 2021
2VPY
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BU of 2vpy by Molmil
Polysulfide reductase with bound quinone inhibitor, pentachlorophenol (PCP)
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ...
著者Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S.
登録日2008-03-09
公開日2008-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Mechanism of Energy Conservation in Polysulfide Respiration.
Nat.Struct.Mol.Biol., 15, 2008
5YWX
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BU of 5ywx by Molmil
Crystal structure of hematopoietic prostaglandin D synthase in complex with F092
分子名称: GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ...
著者Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A.
登録日2017-11-30
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies.
Bioorg. Med. Chem., 26, 2018
2OTY
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BU of 2oty by Molmil
1,2-dichlorobenzene in complex with T4 Lysozyme L99A
分子名称: 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
4ZET
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BU of 4zet by Molmil
Blood dendritic cell antigen 2 (BDCA-2) complexed with GalGlcNAcMan
分子名称: C-type lectin domain family 4 member C, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose
著者Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E.
登録日2015-04-20
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
4YOM
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BU of 4yom by Molmil
Structure of SAD kinase
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase BRSK2
著者Wu, J.X, Wang, J, Chen, L, Wang, Z.X, Wu, J.W.
登録日2015-03-12
公開日2015-12-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structural insight into the mechanism of synergistic autoinhibition of SAD kinases
Nat Commun, 6, 2015
2OTZ
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BU of 2otz by Molmil
N-methylaniline in complex with T4 Lysozyme L99A
分子名称: Lysozyme, N-METHYLANILINE, PHOSPHATE ION
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2VPX
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BU of 2vpx by Molmil
Polysulfide reductase with bound quinone (UQ1)
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, HYPOTHETICAL MEMBRANE SPANNING PROTEIN, IRON/SULFUR CLUSTER, ...
著者Jormakka, M, Yokoyama, K, Yano, T, Tamakoshi, M, Akimoto, S, Shimamura, T, Curmi, P, Iwata, S.
登録日2008-03-09
公開日2008-06-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Mechanism of Energy Conservation in Polysulfide Respiration.
Nat.Struct.Mol.Biol., 15, 2008
4ZES
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BU of 4zes by Molmil
Blood dendritic cell antigen 2 (BDCA-2) complexed with methyl-mannoside
分子名称: C-type lectin domain family 4 member C, CALCIUM ION, MAGNESIUM ION, ...
著者Jegouzo, S.A.F, Feinberg, H, Dungarwalla, T, Drickamer, K, Weis, W.I, Taylor, M.E.
登録日2015-04-20
公開日2015-05-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Novel Mechanism for Binding of Galactose-terminated Glycans by the C-type Carbohydrate Recognition Domain in Blood Dendritic Cell Antigen 2.
J.Biol.Chem., 290, 2015
2YL3
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BU of 2yl3 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16G VARIANT AT 1.04 A RESOLUTION - RESTRAINT REFINED
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C, ...
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-05-31
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLD
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BU of 2yld by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A
分子名称: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-06-02
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YKZ
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BU of 2ykz by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: RESTRAINED REFINEMENT
分子名称: CYTOCHROME C', HEME C, SULFATE ION
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2020-03-11
実験手法X-RAY DIFFRACTION (0.84 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL0
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BU of 2yl0 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16A VARIANT AT 0.95 A RESOLUTION
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
登録日2011-05-30
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YL7
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BU of 2yl7 by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16G VARIANT AT 0.9 A RESOLUTION - RESTRAINT REFINEMENT
分子名称: CARBON MONOXIDE, CYTOCHROME C', HEME C
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-05-31
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2YLG
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BU of 2ylg by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: ASCORBATE AND CARBON MONOOXIDE BOUND L16A VARIANT AT 1.05 A RESOLUTION
分子名称: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
著者Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
登録日2011-06-02
公開日2011-10-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
2OU0
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BU of 2ou0 by Molmil
1-methylpyrrole in complex with T4 Lysozyme L99A
分子名称: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2L0X
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BU of 2l0x by Molmil
Solution structure of the 21 kDa GTPase RHEB bound to GDP
分子名称: GTP-binding protein Rheb, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Stoll, R, Heumann, R, Berghaus, C, Kock, G.
登録日2010-07-19
公開日2010-08-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ras homolog enriched in brain (Rheb) enhances apoptotic signaling.
J.Biol.Chem., 285, 2010
2NDL
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BU of 2ndl by Molmil
NMR solution structure of PawS Derived Peptide 22 (PDP-22)
分子名称: PawS derived peptide
著者Franke, B, Jayasena, A.S, Fisher, M.F, Swedberg, J.E, Taylor, N.L, Mylne, J.S, Rosengren, K.
登録日2016-07-17
公開日2016-12-07
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana).
Biopolymers, 106, 2016
2LQ7
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BU of 2lq7 by Molmil
E2 binding surface on Uba3 beta-grasp domain undergoes a conformational transition
分子名称: NEDD8-activating enzyme E1 catalytic subunit
著者Elgin, E.S, Peterson, F.C, Volkman, B.F.
登録日2012-02-27
公開日2012-07-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献E2-binding surface on Uba3 beta-grasp domain undergoes a conformational transition.
Proteins, 80, 2012
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
分子名称: 2-keto acid:ferredoxin oxidoreductase subunit alpha
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-09-04
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4UXB
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BU of 4uxb by Molmil
Human ARTD1 (PARP1) - Catalytic domain in complex with inhibitor PJ34
分子名称: N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, POLY ADP-RIBOSE POLYMERASE 1, SULFATE ION
著者Tresaugues, L, Thorsell, A.G, Karlberg, T, Schuler, H.
登録日2014-08-21
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.
J. Med. Chem., 60, 2017
8CGC
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BU of 8cgc by Molmil
Structure of CSF1R in complex with a pyrollopyrimidine (compound 23)
分子名称: (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ...
著者Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E.
登録日2023-02-03
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form.
J.Med.Chem., 66, 2023
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
分子名称: Alpha-synuclein
著者Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
登録日2015-05-05
公開日2015-09-09
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.41 Å)
主引用文献Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015

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