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PDB: 6626 件

6UVJ
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BU of 6uvj by Molmil
Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Johnson, J.A, Pomerantz, W.C.K.
登録日2019-11-02
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
1P6I
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BU of 1p6i by Molmil
Rat neuronal NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMINO]PENTYL}-N'-NITROGUANIDINE, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
3EIL
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BU of 3eil by Molmil
Structure of B-DNA d(CGTTAATTAACG)2 in the presence of Manganese
分子名称: 5'-D(*DCP*DGP*DTP*DTP*DAP*DAP*DTP*DTP*DAP*DAP*DCP*DG)-3', MANGANESE (II) ION
著者Millonig, H, Pous, J, Campos, L.J, Subirana, J.A.
登録日2008-09-16
公開日2009-06-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The interaction of manganese ions with DNA
J.Inorg.Biochem., 103, 2009
3EJ8
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BU of 3ej8 by Molmil
Structure of double mutant of human iNOS oxygenase domain with bound immidazole
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-09-17
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
1OMW
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BU of 1omw by Molmil
Crystal Structure of the complex between G Protein-Coupled Receptor Kinase 2 and Heterotrimeric G Protein beta 1 and gamma 2 subunits
分子名称: G-protein coupled receptor kinase 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) gamma-2 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) beta subunit 1
著者Lodowski, D.T, Pitcher, J.A, Capel, W.D, Lefkowitz, R.J, Tesmer, J.J.G.
登録日2003-02-26
公開日2003-06-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Keeping G proteins at Bay: A Complex Between G Protein-Coupled Receptor Kinase 2 and G-Beta-Gamma
Science, 300, 2003
3EN7
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BU of 3en7 by Molmil
Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor
分子名称: 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
著者Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M.
登録日2008-09-25
公開日2008-10-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.
Nat.Chem.Biol., 4, 2008
3E6O
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BU of 3e6o by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C124355
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
3EAH
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BU of 3eah by Molmil
Structure of inhibited human eNOS oxygenase domain
分子名称: (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-25
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6B8Z
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BU of 6b8z by Molmil
Multiconformer model of WT PTP1B with BB3 at 273 K
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2017-10-09
公開日2018-06-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
6ASM
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BU of 6asm by Molmil
E. coli phosphoenolpyruvate carboxykinase G209S K212C mutant bound to thiosulfate
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Tang, H.Y.H, Shin, D.S, Tainer, J.A.
登録日2017-08-25
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
6AT4
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BU of 6at4 by Molmil
E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate
分子名称: Phosphoenolpyruvate carboxykinase (ATP), THIOSULFATE
著者Tang, H.Y.H, Shin, D.S, Tainer, J.A.
登録日2017-08-27
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.332 Å)
主引用文献Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
1P6J
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BU of 1p6j by Molmil
Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
6AWN
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BU of 6awn by Molmil
X-ray structure of the S439T human serotonin transporter complexed with paroxetine at the central site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, 8B6 antibody FAB light chain, ...
著者Coleman, J.A, Gouaux, E.
登録日2017-09-06
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
1P6M
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BU of 1p6m by Molmil
Bovine endothelial NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ...
著者Flinspach, M.L, Li, H, Jamal, J, Yang, W, Huang, H, Hah, J.-M, Gomez-Vidal, J.A, Litzinger, E.A, Silverman, R.B, Poulos, T.L.
登録日2003-04-29
公開日2004-01-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.
Nat.Struct.Mol.Biol., 11, 2004
6UPP
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BU of 6upp by Molmil
Radiation Damage Test of PixJ Pb state crystals
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ...
著者Clinger, J.A, Miller, M.D, Burgie, E.S, Vierstra, R.D, Phillips Jr, G.N.
登録日2019-10-18
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
6AT3
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BU of 6at3 by Molmil
E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate
分子名称: OXALOACETATE ION, Phosphoenolpyruvate carboxykinase (ATP), THIOSULFATE
著者Tang, H.Y.H, Shin, D.S, Tainer, J.A.
登録日2017-08-27
公開日2018-08-29
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.455 Å)
主引用文献Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase.
Biochemistry, 57, 2018
3ENE
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BU of 3ene by Molmil
Complex of PI3K gamma with an inhibitor
分子名称: 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A.
登録日2008-09-25
公開日2008-10-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases
Nat.Chem.Biol., 4, 2008
6UWX
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BU of 6uwx by Molmil
Cocrystal of BRD4(D1) with a ethyl carbamate thiazepane inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
著者Johnson, J.A, Pomerantz, W.C.K.
登録日2019-11-05
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.307 Å)
主引用文献Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
6APP
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BU of 6app by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody A Complexed with Nucleoprotein C-terminal domain
分子名称: Anti-Marburgvirus Nucleoprotein Single Domain Antibody A, Nucleoprotein
著者Taylor, A.B, Garza, J.A.
登録日2017-08-17
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
6UPU
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BU of 6upu by Molmil
Crystal structure of the Orientia tsutsugamushi OtDUB in complex with three molecules of ubiquitin
分子名称: ULP_PROTEASE domain-containing protein, Ubiquitin
著者Lim, C.S, Ronau, J.A, Xiong, Y.
登録日2019-10-18
公開日2020-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020
1OQW
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BU of 1oqw by Molmil
Full-Length PAK Pilin from Pseudomonas aeruginosa
分子名称: Fimbrial protein
著者Craig, L, Arvai, A.S, Forest, K.T, Tainer, J.A.
登録日2003-03-11
公開日2003-06-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Type IV Pilin Structure and Assembly: X-Ray and EM Analyses of Vibrio cholerae Toxin-Coregulated Pilus and Pseudomonas aeruginosa PAK Pilin
Mol.Cell, 11, 2003
6B90
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BU of 6b90 by Molmil
Multiconformer model of apo WT PTP1B with glycerol at 100 K (ALTERNATIVE REFINEMENT OF PDB 1SUG showing conformational heterogeneity)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2017-10-09
公開日2018-06-20
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
3E7G
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BU of 3e7g by Molmil
Structure of human INOSOX with inhibitor AR-C95791
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-18
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6AWP
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BU of 6awp by Molmil
X-ray structure of the ts3 human serotonin transporter complexed with fluvoxamine at the central site
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, 8B6 antibody FAB light chain, ...
著者Coleman, J.A, Gouaux, E.
登録日2017-09-06
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018
6UPS
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BU of 6ups by Molmil
Crystal structure of the deubiquitylase domain from the Orientia tsutsugamushi protein OTT_1962 (OtDUB)
分子名称: ULP_PROTEASE domain-containing protein
著者Ronau, J.A, Lim, C.S, Xiong, Y.
登録日2019-10-18
公開日2020-04-01
最終更新日2021-04-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A deubiquitylase with an unusually high-affinity ubiquitin-binding domain from the scrub typhus pathogen Orientia tsutsugamushi.
Nat Commun, 11, 2020

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