4EKF
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5KXV
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![BU of 5kxv by Molmil](/molmil-images/mine/5kxv) | Structure Proteinase K at 0.98 Angstroms | Descriptor: | CALCIUM ION, GLYCEROL, NITRATE ION, ... | Authors: | Masuda, T, Suzuki, M, Inoue, S, Numata, K, Sugahara, M. | Deposit date: | 2016-07-20 | Release date: | 2017-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Atomic resolution structure of serine protease proteinase K at ambient temperature. Sci Rep, 7, 2017
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4F1U
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![BU of 4f1u by Molmil](/molmil-images/mine/4f1u) | Subatomic resolution structure of a high affinity periplasmic phosphate-binding protein (PfluDING) bound with phosphate at pH 4.5 | Descriptor: | 1,2-ETHANEDIOL, HYDROGENPHOSPHATE ION, Putative alkaline phosphatase, ... | Authors: | Liebschner, D, Elias, M, Tawfik, D.S, Moniot, S, Fournier, B, Scott, K, Jelsch, C, Guillot, B, Lecomte, C, Chabriere, E. | Deposit date: | 2012-05-07 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | The molecular basis of phosphate discrimination in arsenate-rich environments. Nature, 491, 2012
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5HMV
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![BU of 5hmv by Molmil](/molmil-images/mine/5hmv) | Re refinement of 4mwk. | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Helliwell, J.R. | Deposit date: | 2016-01-17 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Comment on "Structural dynamics of cisplatin binding to histidine in a protein" [Struct. Dyn. 1, 034701 (2014)]. Struct Dyn, 3, 2016
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3FSA
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8RC7
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6Z7I
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![BU of 6z7i by Molmil](/molmil-images/mine/6z7i) | Crystal structure of CTX-M-15 E166Q mutant apoenzyme | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2020-05-31 | Release date: | 2021-06-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio, 2022
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6TX6
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6LIP
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![BU of 6lip by Molmil](/molmil-images/mine/6lip) | Crystal structure of NDM-1 in complex with D-captopril derivative wss0218 | Descriptor: | (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Zhang, H, Ma, G. | Deposit date: | 2019-12-12 | Release date: | 2020-12-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors. Bioorg.Med.Chem., 29, 2020
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1UNQ
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![BU of 1unq by Molmil](/molmil-images/mine/1unq) | High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase B/Akt Bound To Ins(1,3,4,5)-Tetrakisphophate | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-ALPHA SERINE/THREONINE KINASE | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2003-09-12 | Release date: | 2004-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change. Biochem. J., 375, 2003
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4FU5
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7OYN
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![BU of 7oyn by Molmil](/molmil-images/mine/7oyn) | Carbonic anhydrase II in complex with Hit3 (MH57) | Descriptor: | Carbonic anhydrase 2, Hit3 (MH57), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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2BZZ
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![BU of 2bzz by Molmil](/molmil-images/mine/2bzz) | Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A | Descriptor: | ACETIC ACID, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, NONSECRETORY RIBONUCLEASE | Authors: | Baker, M.D, Holloway, D.E, Swaminathan, G.J, Acharya, K.R. | Deposit date: | 2005-08-24 | Release date: | 2006-01-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Crystal Structures of Eosinophil-Derived Neurotoxin (Edn) in Complex with the Inhibitors 5'- ATP, Ap(3)A, Ap(4)A, and Ap(5)A. Biochemistry, 45, 2006
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7OYM
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![BU of 7oym by Molmil](/molmil-images/mine/7oym) | Carbonic anhydrase II in complex with Hit2 (MH65) | Descriptor: | Carbonic anhydrase 2, Hit2 (MH65), ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2021-06-24 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. Rsc Med Chem, 14, 2023
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3C78
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4KXU
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![BU of 4kxu by Molmil](/molmil-images/mine/4kxu) | Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate | Descriptor: | 1,2-ETHANEDIOL, D-SORBITOL-6-PHOSPHATE, MAGNESIUM ION, ... | Authors: | Neumann, P, Luedtke, S, Ficner, R, Tittmann, K. | Deposit date: | 2013-05-28 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Sub-angstrom-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem, 5, 2013
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3PSM
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5XR0
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![BU of 5xr0 by Molmil](/molmil-images/mine/5xr0) | Crystal structure of Notched-fin eelpout type III antifreeze protein A20T mutant (NFE6, AFP), P21 form | Descriptor: | Ice-structuring protein | Authors: | Adachi, M, Shimizu, R, Shibazaki, C, Kondo, H, Tsuda, S. | Deposit date: | 2017-06-07 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Polypentagonal ice-like water networks emerge solely in an activity-improved variant of ice-binding protein Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2WW6
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![BU of 2ww6 by Molmil](/molmil-images/mine/2ww6) | foldon containing D-amino acids in turn positions | Descriptor: | FIBRITIN, TETRAETHYLENE GLYCOL | Authors: | Eckhardt, B, Grosse, W, Essen, L.-O, Geyer, A. | Deposit date: | 2009-10-22 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural Characterization of a Beta-Turn Mimic within a Protein-Protein Interface. Proc.Natl.Acad.Sci.USA, 107, 2010
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7YZ7
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![BU of 7yz7 by Molmil](/molmil-images/mine/7yz7) | Crystal structure of the zebrafish FoxH1 bound to the TGTGGATT site | Descriptor: | DNA (5'-D(*AP*GP*AP*TP*TP*GP*TP*GP*GP*AP*TP*TP*GP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*CP*AP*AP*TP*CP*CP*AP*CP*AP*AP*TP*CP*T)-3'), Forkhead box protein H1, ... | Authors: | Pluta, R, Macias, M.J. | Deposit date: | 2022-02-18 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun, 13, 2022
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7AVE
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![BU of 7ave by Molmil](/molmil-images/mine/7ave) | Perdeuterated refolded hen egg-white lysozyme at 100 K | Descriptor: | ACETATE ION, Lysozyme C, NITRATE ION | Authors: | Ramos, J, Laux, V, Haertlein, M, Erba Boeri, E, Forsyth, V.T, Larsen, S, Mossou, E, Langkilde, A.E. | Deposit date: | 2020-11-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Structural insights into protein folding, stability and activity using in vivo perdeuteration of hen egg-white lysozyme. Iucrj, 8, 2021
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7PMT
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![BU of 7pmt by Molmil](/molmil-images/mine/7pmt) | Human Cyclophilin D in complex with N-[(5-ethyl-4-oxo-1,2,3,4,5,6- hexahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide | Descriptor: | DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ... | Authors: | Silva, D.O, Graedler, U, Bandeiras, T.M. | Deposit date: | 2021-09-02 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Human Cyclophilin D in complex with N-[(4-aminophenyl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published
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1IXH
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7ATV
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![BU of 7atv by Molmil](/molmil-images/mine/7atv) | Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... | Authors: | Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. | Deposit date: | 2020-10-31 | Release date: | 2021-08-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
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5MB5
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