4E02
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![BU of 4e02 by Molmil](/molmil-images/mine/4e02) | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with AMPPNP | Descriptor: | (S)-2-chloro-3-phenylpropanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | Deposit date: | 2012-03-02 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1547 Å) | Cite: | Structures of branched-chain alpha-ketoacid dehydrogenase kinase-inhibitor complexes To be Published
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4DTX
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![BU of 4dtx by Molmil](/molmil-images/mine/4dtx) | RB69 DNA Polymerase Ternary Complex with dTTP Opposite an Abasic Site and ddC/dG as the Penultimate Base-pair | Descriptor: | CALCIUM ION, DNA polymerase, DNA primer, ... | Authors: | Xia, S, Wang, J, Konigsberg, W.H. | Deposit date: | 2012-02-21 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Contribution of Partial Charge Interactions and Base Stacking to the Efficiency of Primer Extension at and beyond Abasic Sites in DNA. Biochemistry, 51, 2012
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7L7S
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![BU of 7l7s by Molmil](/molmil-images/mine/7l7s) | Human mitochondrial chaperonin mHsp60 | Descriptor: | 60 kDa heat shock protein, mitochondrial | Authors: | Chen, L, Wang, J.C.Y. | Deposit date: | 2020-12-30 | Release date: | 2021-08-25 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for the structural dynamics of human mitochondrial chaperonin mHsp60. Sci Rep, 11, 2021
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5BY2
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7DVN
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![BU of 7dvn by Molmil](/molmil-images/mine/7dvn) | Crystal structure of a MarR family protein in complex with a lipid-like effector molecule from the psychrophilic bacterium Paenisporosarcina sp. TG-14 | Descriptor: | MarR family transcriptional regulator, PALMITIC ACID | Authors: | Lee, C.W, Hwang, J, Do, H, Lee, J.H. | Deposit date: | 2021-01-14 | Release date: | 2021-11-24 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of a MarR family protein from the psychrophilic bacterium Paenisporosarcina sp. TG-14 in complex with a lipid-like molecule. Iucrj, 8, 2021
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5U73
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![BU of 5u73 by Molmil](/molmil-images/mine/5u73) | Crystal structure of human Niemann-Pick C1 protein | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Niemann-Pick C1 protein, ... | Authors: | Li, X, Wang, J, Blobel, G. | Deposit date: | 2016-12-11 | Release date: | 2017-09-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.348 Å) | Cite: | 3.3 angstrom structure of Niemann-Pick C1 protein reveals insights into the function of the C-terminal luminal domain in cholesterol transport. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5TW2
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![BU of 5tw2 by Molmil](/molmil-images/mine/5tw2) | Structure of mouse CD1d with bound alpha-galactosylsphingamide JG168 | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 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: | Zajonc, D.M, Wang, J. | Deposit date: | 2016-11-11 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Galactosylsphingamides: new alpha-GalCer analogues to probe the F'-pocket of CD1d. Sci Rep, 7, 2017
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7VDQ
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![BU of 7vdq by Molmil](/molmil-images/mine/7vdq) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 7 | Descriptor: | 2-[[7-[[2-fluoranyl-4-[3-(hydroxymethyl)pyrazol-1-yl]phenyl]amino]-1,6-naphthyridin-2-yl]-(1-methylpiperidin-4-yl)amino]ethanoic acid, Cyclin-dependent kinase 5 activator 1, p25, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDS
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![BU of 7vds by Molmil](/molmil-images/mine/7vds) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 24 | Descriptor: | 1,2-ETHANEDIOL, 5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile, CHLORIDE ION, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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3MP8
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![BU of 3mp8 by Molmil](/molmil-images/mine/3mp8) | Crystal structure of Sgf29 tudor domain | Descriptor: | 4-(HYDROXYMETHYL)BENZAMIDINE, ACETIC ACID, GLYCEROL, ... | Authors: | Li, J, Wu, M, Ruan, J, Zang, J. | Deposit date: | 2010-04-26 | Release date: | 2011-05-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation Embo J., 30, 2011
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7VDR
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![BU of 7vdr by Molmil](/molmil-images/mine/7vdr) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 13 | Descriptor: | (1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol, 1,2-ETHANEDIOL, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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7VDP
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![BU of 7vdp by Molmil](/molmil-images/mine/7vdp) | The structure of cyclin-dependent kinase 5 (CDK5) in complex with p25 and Compound 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cyclin-dependent kinase 5 activator 1, ... | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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3N0I
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![BU of 3n0i by Molmil](/molmil-images/mine/3n0i) | Crystal Structure of Ad37 fiber knob in complex with GD1a oligosaccharide | Descriptor: | Fiber, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ZINC ION | Authors: | Nilsson, E.C, Storm, R.J, Bauer, J, Johansson, S.M.C, Lookene, A, Angstroem, J, Hedenstroem, M, Fraengsmyr, L, Rinaldi, S, Willison, H, Domelloef, F.P, Stehle, T, Arnberg, N. | Deposit date: | 2010-05-14 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis. NAT.MED. (N.Y.), 17, 2011
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7VDU
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![BU of 7vdu by Molmil](/molmil-images/mine/7vdu) | The structure of cyclin-dependent kinase 2 (CDK2) in complex with Compound 1 | Descriptor: | Cyclin-dependent kinase 2, [1-[3-fluoranyl-4-[(2-piperidin-4-yloxy-1,6-naphthyridin-7-yl)amino]phenyl]pyrazol-3-yl]methanol | Authors: | Malojcic, G, Clugston, S.L, Daniels, M, Harmange, J.C, Ledeborer, M. | Deposit date: | 2021-09-07 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Discovery and Optimization of Highly Selective Inhibitors of CDK5. J.Med.Chem., 65, 2022
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8K1C
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![BU of 8k1c by Molmil](/molmil-images/mine/8k1c) | |
8K1F
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5NUE
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![BU of 5nue by Molmil](/molmil-images/mine/5nue) | Cytosolic Malate Dehydrogenase 1 (peroxide-treated) | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-ETHOXYETHANOL, ... | Authors: | Young, D, Messens, J, Huang, J, Reichheld, J.-P. | Deposit date: | 2017-04-29 | Release date: | 2018-02-28 | Last modified: | 2018-07-04 | Method: | X-RAY DIFFRACTION (1.35000277 Å) | Cite: | Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis. J. Exp. Bot., 69, 2018
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2ZU6
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![BU of 2zu6 by Molmil](/molmil-images/mine/2zu6) | crystal structure of the eIF4A-PDCD4 complex | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Eukaryotic initiation factor 4A-I, ... | Authors: | Cho, Y, Chang, J.H, Sohn, S.Y. | Deposit date: | 2008-10-13 | Release date: | 2009-02-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the eIF4A-PDCD4 complex Proc.Natl.Acad.Sci.Usa, 106, 2009
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2NUD
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![BU of 2nud by Molmil](/molmil-images/mine/2nud) | The structure of the type III effector AvrB complexed with a high-affinity RIN4 peptide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence B protein, RPM1-interacting protein 4, ... | Authors: | Singer, A.U, Desveaux, D, Wu, A.J, McNulty, B, Sondek, J, Dangl, J.L. | Deposit date: | 2006-11-09 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Type III Effector Activation via Nucleotide Binding, Phosphorylation, and Host Target Interaction. Plos Pathog., 3, 2007
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3NIP
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![BU of 3nip by Molmil](/molmil-images/mine/3nip) | Crystal structure of Pseudomonas aeruginosa guanidinopropionase complexed with 1,6-diaminohexane | Descriptor: | 3-guanidinopropionase, HEXANE-1,6-DIAMINE | Authors: | Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Jang, J.Y, Im, H, An, D, Suh, S.W. | Deposit date: | 2010-06-16 | Release date: | 2011-06-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Pseudomonas aeruginosa guanidinobutyrase and guanidinopropionase, members of the ureohydrolase superfamily J.Struct.Biol., 175, 2011
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1KUX
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![BU of 1kux by Molmil](/molmil-images/mine/1kux) | X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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2EFG
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![BU of 2efg by Molmil](/molmil-images/mine/2efg) | TRANSLATIONAL ELONGATION FACTOR G COMPLEXED WITH GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, PROTEIN (ELONGATION FACTOR G DOMAIN 3), PROTEIN (ELONGATION FACTOR G) | Authors: | Czworkowski, J, Wang, J, Steitz, T.A, Moore, P.B. | Deposit date: | 1998-09-23 | Release date: | 1999-09-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of elongation factor G complexed with GDP, at 2.7 A resolution. EMBO J., 13, 1994
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4GT3
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1KUY
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![BU of 1kuy by Molmil](/molmil-images/mine/1kuy) | X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-ACETYL TRYPTAMINE, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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4N77
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![BU of 4n77 by Molmil](/molmil-images/mine/4n77) | |