6JN5
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![BU of 6jn5 by Molmil](/molmil-images/mine/6jn5) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS23 | Descriptor: | Serine Beta-Lactamase KPC-2, [(S)-(4-fluorophenyl)-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methyl]boronic acid | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN3
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![BU of 6jn3 by Molmil](/molmil-images/mine/6jn3) | Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, Serine Beta-Lactamase KPC-2, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.216 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6JN6
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![BU of 6jn6 by Molmil](/molmil-images/mine/6jn6) | Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19 | Descriptor: | Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ... | Authors: | Li, G.-B, Liu, S. | Deposit date: | 2019-03-13 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases. J.Med.Chem., 62, 2019
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6L1W
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![BU of 6l1w by Molmil](/molmil-images/mine/6l1w) | Zinc-finger Antiviral Protein (ZAP) bound to RNA | Descriptor: | RNA (5'-R(*CP*GP*UP*CP*GP*U)-3'), ZINC ION, Zinc finger CCCH-type antiviral protein 1 | Authors: | Luo, X, Wang, X, Gao, Y, Zhu, J, Liu, S, Gao, G, Gao, P. | Deposit date: | 2019-09-30 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Molecular Mechanism of RNA Recognition by Zinc-Finger Antiviral Protein. Cell Rep, 30, 2020
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3BM8
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![BU of 3bm8 by Molmil](/molmil-images/mine/3bm8) | |
1PRQ
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![BU of 1prq by Molmil](/molmil-images/mine/1prq) | ACANTHAMOEBA CASTELLANII PROFILIN IA | Descriptor: | PROFILIN IA | Authors: | Fedorov, A.A, Pollard, T.D, Way, M, Lattman, E.E, Almo, S.C. | Deposit date: | 1997-08-18 | Release date: | 1997-12-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal packing induces a conformational change in profilin-I from Acanthamoeba castellanii. J.Struct.Biol., 123, 1998
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6KN9
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![BU of 6kn9 by Molmil](/molmil-images/mine/6kn9) | |
6JC4
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![BU of 6jc4 by Molmil](/molmil-images/mine/6jc4) | |
8IF6
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![BU of 8if6 by Molmil](/molmil-images/mine/8if6) | |
8HGR
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![BU of 8hgr by Molmil](/molmil-images/mine/8hgr) | The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942 | Descriptor: | CHLORIDE ION, Flavodoxin, MAGNESIUM ION | Authors: | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | Deposit date: | 2022-11-15 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin. Biochem.Biophys.Res.Commun., 639, 2022
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8HGQ
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![BU of 8hgq by Molmil](/molmil-images/mine/8hgq) | The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942 | Descriptor: | Flavodoxin, PHOSPHATE ION | Authors: | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | Deposit date: | 2022-11-15 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin. Biochem.Biophys.Res.Commun., 639, 2022
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8IK0
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![BU of 8ik0 by Molmil](/molmil-images/mine/8ik0) | |
8IK3
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![BU of 8ik3 by Molmil](/molmil-images/mine/8ik3) | |
8F4Q
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![BU of 8f4q by Molmil](/molmil-images/mine/8f4q) | rat branched chain ketoacid dehydrogenase kinase in complex with inhibtors | Descriptor: | 3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Liu, S. | Deposit date: | 2022-11-11 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Discovery of branched-chain ketoacid dehydrogenase kinase (BDK) inhibitors acting as stabilizers or destabilizers To Be Published
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8ERB
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![BU of 8erb by Molmil](/molmil-images/mine/8erb) | Crystal structure of Fub7 in complex with vinylglycine ketimine | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-11 | Release date: | 2023-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8EQW
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![BU of 8eqw by Molmil](/molmil-images/mine/8eqw) | Crystal structure of Fub7 | Descriptor: | Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-10 | Release date: | 2023-10-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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8ERJ
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![BU of 8erj by Molmil](/molmil-images/mine/8erj) | Crystal structure of Fub7 in complex with E-2-aminocrotonate | Descriptor: | (2E)-2-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}but-2-enoic acid, (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acid, Sulfhydrylase FUB7 | Authors: | Hai, Y. | Deposit date: | 2022-10-12 | Release date: | 2023-10-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Molecular and Structural Basis for C gamma-C Bond Formation by PLP-Dependent Enzyme Fub7. Angew.Chem.Int.Ed.Engl., 63, 2024
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4G2L
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![BU of 4g2l by Molmil](/molmil-images/mine/4g2l) | Human PDE9 in complex with selective compound | Descriptor: | 1-cyclopentyl-6-{(1R)-1-[3-(pyrimidin-2-yl)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-07-12 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
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4DCH
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![BU of 4dch by Molmil](/molmil-images/mine/4dch) | Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | Descriptor: | (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | Authors: | Greasley, S.E, Hickey, M, Feng, J, Garcia, E. | Deposit date: | 2012-01-17 | Release date: | 2012-02-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS. J.Biol.Chem., 287, 2012
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4E90
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![BU of 4e90 by Molmil](/molmil-images/mine/4e90) | Human phosphodiesterase 9 in complex with inhibitors | Descriptor: | 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-03-20 | Release date: | 2013-02-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
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4G2J
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![BU of 4g2j by Molmil](/molmil-images/mine/4g2j) | Human pde9 in complex with selective compound | Descriptor: | 1-cyclopentyl-6-[(1R)-1-(3-phenoxyazetidin-1-yl)ethyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2012-07-12 | Release date: | 2013-05-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J.Med.Chem., 55, 2012
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8IVQ
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![BU of 8ivq by Molmil](/molmil-images/mine/8ivq) | Cryo-EM structure of mouse BIRC6, Global map | Descriptor: | Isoform 2 of Baculoviral IAP repeat-containing protein 6 | Authors: | Liu, S, Jiang, T, Bu, F, Zhao, J, Wang, G, Li, N, Gao, N, Qiu, X. | Deposit date: | 2023-03-28 | Release date: | 2024-01-24 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular mechanisms underlying the BIRC6-mediated regulation of apoptosis and autophagy. Nat Commun, 15, 2024
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7BU0
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![BU of 7bu0 by Molmil](/molmil-images/mine/7bu0) | |
5Y6D
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![BU of 5y6d by Molmil](/molmil-images/mine/5y6d) | |
5Y6E
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![BU of 5y6e by Molmil](/molmil-images/mine/5y6e) | |