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6NO9
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BU of 6no9 by Molmil
PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ...
Authors:Murray, J.M, Noland, C.
Deposit date:2019-01-15
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.
J. Med. Chem., 62, 2019
5FTQ
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BU of 5ftq by Molmil
Crystal structure of the ALK kinase domain in complex with Cmpd 17
Descriptor: ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE
Authors:Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P.
Deposit date:2016-01-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
1YA7
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BU of 1ya7 by Molmil
Implications for interactions of proteasome with PAN and PA700 from the 1.9 A structure of a proteasome-11S activator complex
Descriptor: GLYCEROL, Proteasome alpha subunit, Proteasome beta subunit, ...
Authors:Forster, A, Masters, E.I, Whitby, F.G, Robinson, H, Hill, C.P.
Deposit date:2004-12-17
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 1.9 A structure of a proteasome-11S activator complex and implications for proteasome-PAN/PA700 interactions.
Mol.Cell, 18, 2005
5FI4
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BU of 5fi4 by Molmil
Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model
Descriptor: GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ...
Authors:Elling, R.A, Knapp, M.S, Han, W, Daniel, L.M, Xy, Y, Burger, M.T, Ni, Z, Smith, A, Lan, J, Williams, T, Verhagen, J, Huh, K, Merritt, H, Chan, J, Kaufman, S, Voliva, C.F, Pecchi, S.
Deposit date:2015-12-22
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of imidazo[1,2-a]-pyridine inhibitors of pan-PI3 kinases that are efficacious in a mouse xenograft model.
Bioorg.Med.Chem.Lett., 26, 2016
1Z0J
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BU of 1z0j by Molmil
Structure of GTP-Bound Rab22Q64L GTPase in complex with the minimal Rab binding domain of Rabenosyn-5
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FYVE-finger-containing Rab5 effector protein rabenosyn-5, GLYCEROL, ...
Authors:Eathiraj, S, Pan, X, Ritacco, C, Lambright, D.G.
Deposit date:2005-03-01
Release date:2005-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structural basis of family-wide Rab GTPase recognition by rabenosyn-5.
Nature, 436, 2005
3IPM
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BU of 3ipm by Molmil
Crystal Structure of Archaeal 20S Proteasome in Complex with the C-terminus of PAN
Descriptor: Proteasome activator PA26, Proteasome-activating nucleotidase fusion protein, Proteasome subunit alpha, ...
Authors:Yu, Y, Cheng, Y.
Deposit date:2009-08-17
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4 Å)
Cite:Interactions of PAN's C-termini with archaeal 20S proteasome and implications for the eukaryotic proteasome-ATPase interactions.
Embo J., 29, 2010
1Y6P
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BU of 1y6p by Molmil
Crystal structure of disulfide engineered porcine pancratic phospholipase a2 to group-x isozyme
Descriptor: CALCIUM ION, CHLORIDE ION, Phospholipase A2, ...
Authors:Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
Deposit date:2004-12-06
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
7SBU
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BU of 7sbu by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a highly potent antibody J08 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, J08 Fab heavy chain, ...
Authors:Liu, H, Wilson, I.A.
Deposit date:2021-09-25
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
1Y6O
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BU of 1y6o by Molmil
Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions
Descriptor: 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K.
Deposit date:2004-12-06
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns.
Biochemistry, 44, 2005
6R5K
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BU of 6r5k by Molmil
Cryo-EM structure of a poly(A) RNP bound to the Pan2-Pan3 deadenylase
Descriptor: MAGNESIUM ION, PAN2-PAN3 deadenylation complex catalytic subunit PAN2, PAN2-PAN3 deadenylation complex subunit PAN3, ...
Authors:Schaefer, I.B, Conti, E.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Molecular Basis for poly(A) RNP Architecture and Recognition by the Pan2-Pan3 Deadenylase.
Cell, 177, 2019
3OW3
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BU of 3ow3 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
Descriptor: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-09-17
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OW4
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BU of 3ow4 by Molmil
Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors
Descriptor: (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase
Authors:Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J.
Deposit date:2010-09-17
Release date:2010-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
8U27
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BU of 8u27 by Molmil
Bcl-2-xL complexed with compound 35
Descriptor: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
Authors:Rizo, J, Pan, Y.-Z.
Deposit date:2023-09-05
Release date:2023-09-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights for selective disruption of Beclin 1 binding to Bcl-2.
Commun Biol, 6, 2023
7X0F
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BU of 7x0f by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant
Descriptor: 4'-PHOSPHOPANTETHEINE, AMB antimetabolite synthase AmbB
Authors:ChuYuanKee, M, Bharath, S.R, Song, H.
Deposit date:2022-02-22
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
7D5L
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BU of 7d5l by Molmil
Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
Descriptor: NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Authors:Ghosh, K, Anumula, R, Kumar, A.
Deposit date:2020-09-26
Release date:2020-12-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
1UVO
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BU of 1uvo by Molmil
Structure Of The Complex Of Porcine Pancreatic Elastase In Complex With Cadmium Refined At 1.85 A Resolution (Crystal A)
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Weiss, M.S, Panjikar, S, Mueller-Dieckmann, C, Tucker, P.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:On the Influence of the Incident Photon Energy on the Radiation Damage in Crystalline Biological Samples
J.Synchrotron Radiat., 12, 2005
1UVP
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BU of 1uvp by Molmil
Structure Of The Complex Of Porcine Pancreatic Elastase In Complex With Cadmium Refined At 1.85 A Resolution (Crystal B)
Descriptor: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
Authors:Weiss, M.S, Panjikar, S, Mueller-Dieckmann, C, Tucker, P.A.
Deposit date:2004-01-21
Release date:2004-02-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:On the Influence of the Incident Photon Energy on the Radiation Damage in Crystalline Biological Samples
J.Synchrotron Radiat., 12, 2005
1UO6
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BU of 1uo6 by Molmil
PORCINE PANCREATIC ELASTASE/Xe-COMPLEX
Descriptor: CHLORIDE ION, ELASTASE 1, GLYCEROL, ...
Authors:Mueller-Dieckmann, C, Polentarutti, M, Djinovic-Carugo, K, Panjikar, S, Tucker, P.A, Weiss, M.S.
Deposit date:2003-09-16
Release date:2003-10-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part II. Data-Collection Wavelength and Scaling Models
Acta Crystallogr.,Sect.D, 60, 2004
7X17
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BU of 7x17 by Molmil
Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant-L-Ala
Descriptor: AMB antimetabolite synthase AmbB, S-[2-[3-[[(2S)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (2R)-2-azanylpropanethioate
Authors:ChuYuanKee, M, Bharath, S.R, Song, H.
Deposit date:2022-02-23
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB.
Sci Rep, 12, 2022
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-09-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
7XRW
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BU of 7xrw by Molmil
Solution structure of T. brucei RAP1
Descriptor: Repressor activator protein 1
Authors:Yang, X, Pan, X.H, Ji, Z.Y, Wong, K.B, Zhang, M.J, Zhao, Y.X.
Deposit date:2022-05-12
Release date:2023-03-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The RRM-mediated RNA binding activity in T. brucei RAP1 is essential for VSG monoallelic expression.
Nat Commun, 14, 2023
4G2V
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BU of 4g2v by Molmil
Structure complex of LGN binding with FRMPD1
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, G-protein-signaling modulator 2, ...
Authors:Shang, Y, Pan, Z, Wen, W, Wang, W, Zhang, M.
Deposit date:2012-07-13
Release date:2013-01-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and biochemical characterization of the interaction between LGN and Frmpd1
J.Mol.Biol., 425, 2013
2B5S
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BU of 2b5s by Molmil
Crystal structure of peach Pru p3, the prototypic member of the family of plant non-specific lipid transfer protein pan-allergens
Descriptor: HEPTANE, LAURIC ACID, Non-specific lipid transfer protein, ...
Authors:Pasquato, N, Berni, R, Folli, C, Folloni, S, Cianci, M, Pantano, S, Helliwell, R.J, Zanotti, G.
Deposit date:2005-09-29
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens
J.Mol.Biol., 356, 2006
2ALG
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BU of 2alg by Molmil
Crystal structure of peach Pru p3, the prototypic member of the family of plant non-specific lipid transfer protein pan-allergens
Descriptor: HEPTANE, HEXAETHYLENE GLYCOL, LAURIC ACID, ...
Authors:Pasquato, N, Berni, R, Folli, C, Folloni, S, Cianci, M, Pantano, S, Helliwell, J, Zanotti, G.
Deposit date:2005-08-05
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Peach Pru p 3, the Prototypic Member of the Family of Plant Non-specific Lipid Transfer Protein Pan-allergens
J.Mol.Biol., 356, 2006
5DGZ
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BU of 5dgz by Molmil
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H, Steffek, M.
Deposit date:2015-08-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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