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2W17
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BU of 2w17 by Molmil
CDK2 in complex with the imidazole pyrimidine amide, compound (S)-8b
Descriptor: ACETATE ION, CELL DIVISION PROTEIN KINASE 2, N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]carbonyl}phenyl)-5-fluoro-4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-amine
Authors:Jones, C.D, Andrews, D.M, Barker, A.J, Blades, K, Daunt, P, East, S, Geh, C, Graham, M.A, Johnson, K.M, Loddick, S.A, McFarland, H.M, McGregor, A, Moss, L, Rudge, D.A, Simpson, P.B, Swain, M.L, Tam, K.Y, Tucker, J.A, Walker, M, Brassington, C, Haye, H, McCall, E.
Deposit date:2008-10-15
Release date:2008-11-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Discovery of Azd5597, a Potent Imidazole Pyrimidine Amide Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem.Lett., 18, 2008
6QB7
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BU of 6qb7 by Molmil
Structure of the H1 domain of human KCTD16
Descriptor: BTB/POZ domain-containing protein KCTD16, PHOSPHATE ION
Authors:Pinkas, D.M, Bufton, J.C, Williams, E.P, Strain-Damerell, C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
Deposit date:2018-12-20
Release date:2019-02-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure of the H1 domain of human KCTD16
To be published
6QS8
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BU of 6qs8 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS4
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BU of 6qs4 by Molmil
Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS7
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BU of 6qs7 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-2A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, MAGNESIUM ION, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6QS6
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BU of 6qs6 by Molmil
ClpB (DWB and K476C mutant) bound to casein in presence of ATPgammaS - state KC-1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-02-20
Release date:2019-07-03
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6RN3
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BU of 6rn3 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-2A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-05-07
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
Descriptor: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
Deposit date:2019-06-28
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of human KCTD1
To be published
4B8X
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BU of 4b8x by Molmil
Near atomic resolution crystal structure of Sco5413, a MarR family transcriptional regulator from Streptomyces coelicolor
Descriptor: CHLORIDE ION, POSSIBLE MARR-TRANSCRIPTIONAL REGULATOR
Authors:Holley, T.A, Stevenson, C.E.M, Bibb, M.J, Lawson, D.M.
Deposit date:2012-08-31
Release date:2012-10-17
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:High Resolution Crystal Structure of Sco5413, a Widespread Actinomycete Marr Family Transcriptional Regulator of Unknown Function.
Proteins, 81, 2013
6S9W
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BU of 6s9w by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6S9X
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BU of 6s9x by Molmil
Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 15c
Descriptor: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
Authors:Landel, I, Mueller, M.P, Rauh, D.
Deposit date:2019-07-15
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
6RN4
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BU of 6rn4 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-05-08
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
5U4I
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BU of 5u4i by Molmil
Structural Basis of Co-translational Quality Control by ArfA and RF2 Bound to Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Zeng, F, Chen, Y, Remis, J, Shekhar, M, Phillips, J.C, Tajkhorshid, E, Jin, H.
Deposit date:2016-12-04
Release date:2017-01-11
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature, 541, 2017
4CP4
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BU of 4cp4 by Molmil
CRYSTAL STRUCTURE OF THE CYTOCHROME P450-CAM ACTIVE SITE MUTANT THR252ALA
Descriptor: CAMPHOR, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1991-06-04
Release date:1993-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the cytochrome P-450CAM active site mutant Thr252Ala.
Biochemistry, 30, 1991
6RN2
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BU of 6rn2 by Molmil
ClpB (DWB mutant) bound to casein in presence of ATPgammaS - state WT-1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein ClpB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Deville, C, Saibil, H.R.
Deposit date:2019-05-07
Release date:2019-07-03
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Two-Step Activation Mechanism of the ClpB Disaggregase for Sequential Substrate Threading by the Main ATPase Motor.
Cell Rep, 27, 2019
4CCX
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BU of 4ccx by Molmil
ALTERING SUBSTRATE SPECIFICITY AT THE HEME EDGE OF CYTOCHROME C PEROXIDASE
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Wilcox, S.K, Jensen, G.M, Fitzgerald, M.M, Mcree, D.E, Goodin, D.B.
Deposit date:1995-03-17
Release date:1995-07-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Altering substrate specificity at the heme edge of cytochrome c peroxidase.
Biochemistry, 35, 1996
2OQE
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BU of 2oqe by Molmil
Crystal Structure of Hansenula polymorpha amine oxidase in complex with Xe to 1.6 Angstroms
Descriptor: COPPER (II) ION, GLYCEROL, Peroxisomal copper amine oxidase, ...
Authors:Johnson, B.J, Wilmot, C.M.
Deposit date:2007-01-31
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Exploring molecular oxygen pathways in Hansenula polymorpha copper-containing amine oxidase
J.Biol.Chem., 282, 2007
2OOV
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BU of 2oov by Molmil
Crystal Structure of Hansenula polymorpha amine oxidase to 1.7 Angstroms
Descriptor: COPPER (II) ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Johnson, B.J, Wilmot, C.M.
Deposit date:2007-01-26
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring molecular oxygen pathways in Hansenula polymorpha copper-containing amine oxidase
J.Biol.Chem., 282, 2007
4CHL
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BU of 4chl by Molmil
Human Ethylmalonic Encephalopathy Protein 1 (hETHE1)
Descriptor: FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL
Authors:Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J.
Deposit date:2013-12-03
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
7CZF
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BU of 7czf by Molmil
Crystal structure of Kaposi Sarcoma associated herpesvirus (KSHV ) gHgL in complex with the ligand binding domian (LBD) of EphA2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F.
Deposit date:2020-09-08
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
5U4J
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BU of 5u4j by Molmil
Structural Basis of Co-translational Quality Control by ArfA and RF2 Bound to Ribosome
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S12, ...
Authors:Zeng, F, Chen, Y, Remis, J, Shekhar, M, Phillips, J.C, Tajkhorshid, E, Jin, H.
Deposit date:2016-12-04
Release date:2017-01-11
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of co-translational quality control by ArfA and RF2 bound to ribosome.
Nature, 541, 2017
7BRI
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BU of 7bri by Molmil
Atrial Natriuretic Peptide Receptor complexed with Dendroaspis Natriuretic Peptide
Descriptor: Atrial natriuretic peptide receptor 1, CHLORIDE ION, Natriuretic peptide DNP, ...
Authors:Ogawa, H.
Deposit date:2020-03-29
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insight into hormone-recognition and transmembrane signaling by the atrial natriuretic peptide receptor
To Be Published
7XBD
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BU of 7xbd by Molmil
Cryo-EM structure of human galanin receptor 2
Descriptor: Galanin, Galanin receptor type 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Ishimoto, N, Kita, S, Park, S.Y.
Deposit date:2022-03-21
Release date:2022-07-13
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structure of the human galanin receptor 2 bound to galanin and Gq reveals the basis of ligand specificity and how binding affects the G-protein interface.
Plos Biol., 20, 2022
6DFP
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BU of 6dfp by Molmil
Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae
Descriptor: VCA0883
Authors:Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-05-15
Release date:2018-05-23
Last modified:2022-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins.
J.Bacteriol., 204, 2022
6DWM
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BU of 6dwm by Molmil
Structure of Human Cytochrome P450 1A1 with Bergamottin
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 4-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one, Cytochrome P450 1A1, ...
Authors:Bart, A.G, Scott, E.E.
Deposit date:2018-06-26
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018

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數據於2024-07-24公開中

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