5OS4
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![BU of 5os4 by Molmil](/molmil-images/mine/5os4) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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2ML9
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4LOG
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![BU of 4log by Molmil](/molmil-images/mine/4log) | The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP | Descriptor: | Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct | Authors: | Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E. | Deposit date: | 2013-07-12 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation. Plos One, 8, 2013
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2M0K
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5ORY
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![BU of 5ory by Molmil](/molmil-images/mine/5ory) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OSF
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![BU of 5osf by Molmil](/molmil-images/mine/5osf) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-17 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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3EK4
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![BU of 3ek4 by Molmil](/molmil-images/mine/3ek4) | Calcium-saturated GCaMP2 Monomer | Descriptor: | CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ... | Authors: | Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R. | Deposit date: | 2008-09-18 | Release date: | 2008-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design J.Biol.Chem., 284, 2009
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3EK8
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![BU of 3ek8 by Molmil](/molmil-images/mine/3ek8) | Calcium-saturated GCaMP2 T116V/G87R mutant monomer | Descriptor: | CALCIUM ION, Myosin light chain kinase, Green fluorescent protein, ... | Authors: | Akerboom, J, Velez Rivera, J.D, Looger, L.L, Schreiter, E.R. | Deposit date: | 2008-09-19 | Release date: | 2008-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of the GCaMP Calcium Sensor Reveal the Mechanism of Fluorescence Signal Change and Aid Rational Design J.Biol.Chem., 284, 2009
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5ORS
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![BU of 5ors by Molmil](/molmil-images/mine/5ors) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5ORW
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![BU of 5orw by Molmil](/molmil-images/mine/5orw) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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5OS5
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![BU of 5os5 by Molmil](/molmil-images/mine/5os5) | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | Descriptor: | 4-(4-hydroxyphenyl)sulfanylphenol, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | Deposit date: | 2017-08-16 | Release date: | 2017-11-01 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem. Biol., 12, 2017
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3I9V
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![BU of 3i9v by Molmil](/molmil-images/mine/3i9v) | Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sazanov, L.A, Berrisford, J.M. | Deposit date: | 2009-07-13 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the mechanism of respiratory complex I J.Biol.Chem., 284, 2009
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1IWQ
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![BU of 1iwq by Molmil](/molmil-images/mine/1iwq) | Crystal Structure of MARCKS calmodulin binding domain peptide complexed with Ca2+/Calmodulin | Descriptor: | CALCIUM ION, CALMODULIN, MARCKS | Authors: | Yamauchi, E, Nakatsu, T, Matsubara, M, Kato, H, Taniguchi, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-05-31 | Release date: | 2003-03-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a MARCKS peptide containing the calmodulin-binding domain in complex with Ca(2+)-calmodulin NAT.STRUCT.BIOL., 10, 2003
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4MK7
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![BU of 4mk7 by Molmil](/molmil-images/mine/4mk7) | |
3IAS
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![BU of 3ias by Molmil](/molmil-images/mine/3ias) | Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Sazanov, L.A, Berrisford, J.M. | Deposit date: | 2009-07-14 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis for the mechanism of respiratory complex I J.Biol.Chem., 284, 2009
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4MK8
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![BU of 4mk8 by Molmil](/molmil-images/mine/4mk8) | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 4 (N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide) | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-(4-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]ethyl}phenyl)methanesulfonamide, ... | Authors: | Harris, S.F, Wong, A. | Deposit date: | 2013-09-04 | Release date: | 2013-10-09 | Last modified: | 2014-01-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
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4MKP
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![BU of 4mkp by Molmil](/molmil-images/mine/4mkp) | Crystal structure of human cGAS apo form | Descriptor: | Cyclic GMP-AMP synthase, ZINC ION | Authors: | Kato, K, Ishii, R, Ishitani, R, Nureki, O. | Deposit date: | 2013-09-05 | Release date: | 2013-10-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Structural and Functional Analyses of DNA-Sensing and Immune Activation by Human cGAS Plos One, 8, 2013
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2MGU
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5XYO
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![BU of 5xyo by Molmil](/molmil-images/mine/5xyo) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122G mutant | Descriptor: | CHLORIDE ION, Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, ... | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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5XYP
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![BU of 5xyp by Molmil](/molmil-images/mine/5xyp) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122R mutant | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, PHOSPHATE ION | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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5XYT
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![BU of 5xyt by Molmil](/molmil-images/mine/5xyt) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., H130Y mutant | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, SULFATE ION | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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2M0J
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5XYG
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![BU of 5xyg by Molmil](/molmil-images/mine/5xyg) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72. | Descriptor: | CHLORIDE ION, Endotype 6-aminohexanoat-oligomer hydrolase, GLYCEROL, ... | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | Deposit date: | 2017-07-07 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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5XYS
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![BU of 5xys by Molmil](/molmil-images/mine/5xys) | Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122V mutant | Descriptor: | Endo-type 6-aminohexanoate oligomer hydrolase, GLYCEROL, PHOSPHATE ION | Authors: | Negoro, S, Shibata, N, Nagai, K, Higuchi, Y. | Deposit date: | 2017-07-10 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural basis of the correct subunit assembly, aggregation, and intracellular degradation of nylon hydrolase Sci Rep, 8, 2018
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5Y9D
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![BU of 5y9d by Molmil](/molmil-images/mine/5y9d) | Crystal structure of acyl-coA oxidase1 from Yarrowia lipolytica | Descriptor: | Acyl-coenzyme A oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kim, S, Kim, K.-J. | Deposit date: | 2017-08-24 | Release date: | 2018-01-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insight into the substrate specificity of acyl-CoA oxidase1 from Yarrowia lipolytica for short-chain dicarboxylyl-CoAs. Biochem. Biophys. Res. Commun., 495, 2018
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