4NFG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nfg by Molmil](/molmil-images/mine/4nfg) | K13R mutant of horse cytochrome c and yeast cytochrome c peroxidase complex | Descriptor: | Cytochrome c, Cytochrome c peroxidase, mitochondrial, ... | Authors: | Meulenbroek, E.M, Bashir, Q, Ubbink, M, Pannu, N.S. | Deposit date: | 2013-10-31 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Engineering specificity in a dynamic protein complex with a single conserved mutation. Febs J., 281, 2014
|
|
4NCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncw by Molmil](/molmil-images/mine/4ncw) | foldon domain wild type C-conjugate | Descriptor: | Fibritin, N,N',N''-triethylbenzene-1,3,5-tricarboxamide | Authors: | Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J. | Deposit date: | 2013-10-25 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org.Biomol.Chem., 12, 2014
|
|
4NDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ndd by Molmil](/molmil-images/mine/4ndd) | X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein | Descriptor: | CALCIUM ION, Calexcitin | Authors: | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | Deposit date: | 2013-10-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4NR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nr3 by Molmil](/molmil-images/mine/4nr3) | |
1W2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w2k by Molmil](/molmil-images/mine/1w2k) | tf7a_4380 complex | Descriptor: | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-07-06 | Release date: | 2005-06-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
|
|
4NFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nfl by Molmil](/molmil-images/mine/4nfl) | Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor NPB-T | Descriptor: | 1-{2-deoxy-3,5-O-[(4-nitrophenyl)(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | Authors: | Pachl, P, Rezacova, P, Brynda, J. | Deposit date: | 2013-10-31 | Release date: | 2014-09-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.375 Å) | Cite: | Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. Org.Biomol.Chem., 12, 2014
|
|
4NDL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ndl by Molmil](/molmil-images/mine/4ndl) | Computational design and experimental verification of a symmetric homodimer | Descriptor: | ENH-c2b, computational designed homodimer | Authors: | Mou, Y, Huang, P.S, Hsu, F.C, Huang, S.J, Mayo, S.L. | Deposit date: | 2013-10-26 | Release date: | 2014-11-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Computational design and experimental verification of a symmetric protein homodimer. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4NL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nl1 by Molmil](/molmil-images/mine/4nl1) | |
4NRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nrg by Molmil](/molmil-images/mine/4nrg) | |
4O1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1g by Molmil](/molmil-images/mine/4o1g) | MTB adenosine kinase in complex with gamma-Thio-ATP | Descriptor: | Adenosine kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SODIUM ION | Authors: | Dostal, J, Brynda, J, Hocek, M, Pichova, I. | Deposit date: | 2013-12-15 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
|
|
4O1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1l by Molmil](/molmil-images/mine/4o1l) | Human Adenosine Kinase in complex with inhibitor | Descriptor: | 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase, MAGNESIUM ION | Authors: | Brynda, J, Dostal, J, Pichova, I, Hodcek, M. | Deposit date: | 2013-12-16 | Release date: | 2014-11-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
|
|
4NUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nuv by Molmil](/molmil-images/mine/4nuv) | |
1W0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1w0y by Molmil](/molmil-images/mine/1w0y) | tf7a_3771 complex | Descriptor: | 4-(4-BENZYLOXY-2-METHANESULFONYLAMINO-5-METHOXY-BENZYLAMINO)-BENZAMIDINE, BLOOD COAGULATION FACTOR VIIA, CACODYLATE ION, ... | Authors: | Banner, D.W, D'Arcy, A, Groebke-Zbinden, K, Ackermann, J, Kirchhofer, D, Ji, Y.-H, Tschopp, T.B, Wallbaum, S, Weber, L. | Deposit date: | 2004-05-27 | Release date: | 2005-01-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of Selective Phenylglycine Amide Tissue Factor/Factor Viia Inhibitors Bioorg.Med.Chem.Lett., 15, 2005
|
|
4O0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o0a by Molmil](/molmil-images/mine/4o0a) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | Descriptor: | 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | Authors: | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | Deposit date: | 2013-12-13 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J. Med. Chem., 56, 2013
|
|
1DY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dy4 by Molmil](/molmil-images/mine/1dy4) | CBH1 IN COMPLEX WITH S-PROPRANOLOL | Descriptor: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A. | Deposit date: | 2000-01-26 | Release date: | 2000-12-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Enantiomer Binding and Separation of a Common Beta-Blocker: Crystal Structure of Cellobiohydrolase Cel7A with Bound (S)-Propranolol at 1.9 A Resolution J.Mol.Biol., 305, 2001
|
|
4OK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ok3 by Molmil](/molmil-images/mine/4ok3) | |
4OIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oiy by Molmil](/molmil-images/mine/4oiy) | Crystal structure of Sec7p catalytic domain | Descriptor: | MAGNESIUM ION, Protein transport protein SEC7 | Authors: | Qiu, B, Zhang, K, Sun, F. | Deposit date: | 2014-01-20 | Release date: | 2014-07-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | C-terminal motif within Sec7 domain regulates guanine nucleotide exchange activity via tuning protein conformation Biochem.Biophys.Res.Commun., 446, 2014
|
|
4OK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ok6 by Molmil](/molmil-images/mine/4ok6) | |
3ECV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ecv by Molmil](/molmil-images/mine/3ecv) | |
3ECU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ecu by Molmil](/molmil-images/mine/3ecu) | |
3H15
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h15 by Molmil](/molmil-images/mine/3h15) | |
2Y82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2y82 by Molmil](/molmil-images/mine/2y82) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
|
|
2YBI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ybi by Molmil](/molmil-images/mine/2ybi) | |
3MBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mbg by Molmil](/molmil-images/mine/3mbg) | Crystal Structure of Human Augmenter of Liver Regeneration (ALR) | Descriptor: | ACETATE ION, FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Dong, M, Schaefer, S, Daithankar, V.N, Thorpe, C, Bahnson, B.J. | Deposit date: | 2010-03-25 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of the human sulfhydryl oxidase augmenter of liver regeneration and characterization of a human mutation causing an autosomal recessive myopathy . Biochemistry, 49, 2010
|
|
2YJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yjf by Molmil](/molmil-images/mine/2yjf) | Oligomeric assembly of actin bound to MRTF-A | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mouilleron, S, Langer, C.A, Guettler, S, McDonald, N.Q, Treisman, R. | Deposit date: | 2011-05-19 | Release date: | 2011-07-06 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of a pentavalent G-actin*MRTF-A complex reveals how G-actin controls nucleocytoplasmic shuttling of a transcriptional coactivator. Sci Signal, 4, 2011
|
|