8CIC
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![BU of 8cic by Molmil](/molmil-images/mine/8cic) | Crystal structure of stabilized A2A adenosine receptor A2AR-StaR2-bRIL in complex with clinical candidate Etrumadenant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ... | Authors: | Cheng, R.K.Y, Markovic-Mueller, S, Hennig, M. | Deposit date: | 2023-02-09 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction. Commun Chem, 6, 2023
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4R5Y
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![BU of 4r5y by Molmil](/molmil-images/mine/4r5y) | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | Descriptor: | 5-({(1R,1aS,6bR)-1-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl}oxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one, Serine/threonine-protein kinase B-raf | Authors: | Feng, Y, Peng, H, Zhang, Y, Liu, Y, Wei, M. | Deposit date: | 2014-08-22 | Release date: | 2016-02-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol.Cancer Ther., 14, 2015
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3AVP
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![BU of 3avp by Molmil](/molmil-images/mine/3avp) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol | Descriptor: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, CITRATE ANION, GLYCEROL, ... | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | Deposit date: | 2011-03-06 | Release date: | 2011-08-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action Acta Crystallogr.,Sect.D, 67, 2011
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3AWF
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![BU of 3awf by Molmil](/molmil-images/mine/3awf) | Crystal structure of Pten-like domain of Ci-VSP (236-576) | Descriptor: | GLYCEROL, SULFATE ION, Voltage-sensor containing phosphatase | Authors: | Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A. | Deposit date: | 2011-03-19 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity J.Biol.Chem., 286, 2011
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3AWG
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![BU of 3awg by Molmil](/molmil-images/mine/3awg) | Crystal structure of Pten-like domain of Ci-VSP G356A mutant (248-576) | Descriptor: | SULFATE ION, Voltage-sensor containing phosphatase | Authors: | Matsuda, M, Sakata, S, Takeshita, K, Suzuki, M, Yamashita, E, Okamura, Y, Nakagawa, A. | Deposit date: | 2011-03-19 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal structure of the cytoplasmic phosphatase and tensin homolog (PTEN)-like region of Ciona intestinalis voltage-sensing phosphatase provides insight into substrate specificity and redox regulation of the phosphoinositide phosphatase activity J.Biol.Chem., 286, 2011
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4QTT
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![BU of 4qtt by Molmil](/molmil-images/mine/4qtt) | Structure of S. cerevisiae Bud23-Trm112 complex involved in formation of m7G1575 on 18S rRNA (apo-form) | Descriptor: | 1,2-ETHANEDIOL, DODECAETHYLENE GLYCOL, Multifunctional methyltransferase subunit TRM112, ... | Authors: | Letoquart, J, Huvelle, E, Wacheul, L, Bourgeois, G, Zorbas, C, Graille, M, Heurgue-Hamard, V, Lafontaine, D.L.J. | Deposit date: | 2014-07-09 | Release date: | 2014-12-24 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and functional studies of Bud23-Trm112 reveal 18S rRNA N7-G1575 methylation occurs on late 40S precursor ribosomes. Proc.Natl.Acad.Sci.USA, 111, 2014
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4RD7
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![BU of 4rd7 by Molmil](/molmil-images/mine/4rd7) | The crystal structure of a Cupin 2 conserved barrel domain protein from Salinispora arenicola CNS-205 | Descriptor: | Cupin 2 conserved barrel domain protein, GLYCEROL, SULFATE ION | Authors: | Tan, K, Gu, M, Clancy, S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-09-18 | Release date: | 2014-10-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | The crystal structure of a Cupin 2 conserved barrel domain protein from Salinispora arenicola CNS-205 To be Published
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3AWT
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![BU of 3awt by Molmil](/molmil-images/mine/3awt) | |
4RDT
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![BU of 4rdt by Molmil](/molmil-images/mine/4rdt) | Structure of the bacterial Zn-transporter ZnuD from Neisseria meningitidis (flexible conformation bound to a zinc ion) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, GLYCEROL, SULFATE ION, ... | Authors: | Calmettes, C, El Bakkouri, M, Moraes, T.F. | Deposit date: | 2014-09-19 | Release date: | 2015-08-19 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The molecular mechanism of Zinc acquisition by the neisserial outer-membrane transporter ZnuD. Nat Commun, 6, 2015
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4RES
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![BU of 4res by Molmil](/molmil-images/mine/4res) | Crystal structure of the Na,K-ATPase E2P-bufalin complex with bound potassium | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Laursen, M, Yatime, L, Gregersen, J.L, Nissen, P, Fedosova, N.U. | Deposit date: | 2014-09-23 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.408 Å) | Cite: | Structures and characterization of digoxin- and bufalin-bound Na+,K+-ATPase compared with the ouabain-bound complex. Proc.Natl.Acad.Sci.USA, 112, 2015
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3AWY
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![BU of 3awy by Molmil](/molmil-images/mine/3awy) | |
4RG6
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![BU of 4rg6 by Molmil](/molmil-images/mine/4rg6) | Crystal structure of APC3-APC16 complex | Descriptor: | Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog | Authors: | Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A. | Deposit date: | 2014-09-29 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome. J.Mol.Biol., 427, 2015
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3AWW
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![BU of 3aww by Molmil](/molmil-images/mine/3aww) | |
3AWV
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![BU of 3awv by Molmil](/molmil-images/mine/3awv) | |
4QVM
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![BU of 4qvm by Molmil](/molmil-images/mine/4qvm) | yCP beta5-M45A mutant in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-15 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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3AWS
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![BU of 3aws by Molmil](/molmil-images/mine/3aws) | |
3AX0
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![BU of 3ax0 by Molmil](/molmil-images/mine/3ax0) | |
4QWJ
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![BU of 4qwj by Molmil](/molmil-images/mine/4qwj) | yCP beta5-A49T-mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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3AWZ
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![BU of 3awz by Molmil](/molmil-images/mine/3awz) | |
3AWU
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![BU of 3awu by Molmil](/molmil-images/mine/3awu) | |
4QV0
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![BU of 4qv0 by Molmil](/molmil-images/mine/4qv0) | yCP beta5-A49T-A50V-double mutant | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-14 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4QXS
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![BU of 4qxs by Molmil](/molmil-images/mine/4qxs) | Crystal structure of human FPPS in complex with WC01088 | Descriptor: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | Authors: | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2014-07-21 | Release date: | 2015-02-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase. Bioorg.Med.Chem.Lett., 25, 2015
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4QVY
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![BU of 4qvy by Molmil](/molmil-images/mine/4qvy) | yCP beta5-A49T-mutant in complex with bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-16 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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3AWX
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![BU of 3awx by Molmil](/molmil-images/mine/3awx) | |
4QWR
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![BU of 4qwr by Molmil](/molmil-images/mine/4qwr) | yCP beta5-C52F mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-17 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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