3FXW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fxw by Molmil](/molmil-images/mine/3fxw) | High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex | Descriptor: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | Authors: | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | Deposit date: | 2009-01-21 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3/inhibitor 2 complex To be Published
|
|
1N7Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n7y by Molmil](/molmil-images/mine/1n7y) | STREPTAVIDIN MUTANT N23E AT 1.96A | Descriptor: | Streptavidin | Authors: | Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2002-11-18 | Release date: | 2003-09-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin. Acta Crystallogr.,Sect.D, 59, 2003
|
|
8GHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ghp by Molmil](/molmil-images/mine/8ghp) | GUCY2C-ECD bound to anti-GUCY2C-scFv antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Guanylyl cyclase C, anti-GUCY2C-scFv antibody heavy chain, ... | Authors: | Mosyak, L. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | Molecular insights into recognition of GUCY2C by T-cell engaging bispecific antibody anti-GUCY2CxCD3. Sci Rep, 13, 2023
|
|
8GHO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gho by Molmil](/molmil-images/mine/8gho) | GUCY2C-peptide bound to anti-GUCY2C-scFv antibody | Descriptor: | Guanylyl cyclase C peptide, anti-GUCY2C-scFv antibody heavy chain, anti-GUCY2C-scFv antibody light chain | Authors: | Mosyak, L. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular insights into recognition of GUCY2C by T-cell engaging bispecific antibody anti-GUCY2CxCD3. Sci Rep, 13, 2023
|
|
3FHR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fhr by Molmil](/molmil-images/mine/3fhr) | High resolution crystal structure of mitogen-activated protein kinase-activated protein kinase 3 (MK3)-inhibitor complex | Descriptor: | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE, MAP kinase-activated protein kinase 3 | Authors: | Cheng, R.K.Y, Barker, J, Palan, S, Felicetti, B, Whittaker, M, Hesterkamp, T. | Deposit date: | 2008-12-10 | Release date: | 2009-12-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution crystal structure of human Mapkap kinase 3 in complex with a high affinity ligand Protein Sci., 19, 2010
|
|
1L9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1l9z by Molmil](/molmil-images/mine/1l9z) | Thermus aquaticus RNA Polymerase Holoenzyme/Fork-Junction Promoter DNA Complex at 6.5 A Resolution | Descriptor: | MAGNESIUM ION, RNA POLYMERASE, ALPHA SUBUNIT, ... | Authors: | Murakami, K.S, Masuda, S, Campbell, E.A, Muzzin, O, Darst, S.A. | Deposit date: | 2002-03-27 | Release date: | 2002-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Structural basis of transcription initiation: an RNA polymerase holoenzyme-DNA complex. Science, 296, 2002
|
|
1N9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n9m by Molmil](/molmil-images/mine/1n9m) | Streptavidin Mutant S27A with Biotin at 1.6A Resolution | Descriptor: | BIOTIN, Streptavidin | Authors: | Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2002-11-25 | Release date: | 2003-09-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin. Acta Crystallogr.,Sect.D, 59, 2003
|
|
3I6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i6a by Molmil](/molmil-images/mine/3i6a) | Human GST A1-1 GIMF mutant with Glutathione | Descriptor: | GLUTATHIONE, Glutathione S-transferase A1 | Authors: | Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M. | Deposit date: | 2009-07-06 | Release date: | 2009-09-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals. Biochemistry, 48, 2009
|
|
1N9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n9y by Molmil](/molmil-images/mine/1n9y) | Streptavidin Mutant S27A at 1.5A Resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Streptavidin | Authors: | Le Trong, I, Freitag, S, Klumb, L.A, Chu, V, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2002-11-26 | Release date: | 2003-09-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural studies of hydrogen bonds in the high-affinity streptavidin-biotin complex: mutations of amino acids interacting with the ureido oxygen of biotin. Acta Crystallogr.,Sect.D, 59, 2003
|
|
2VAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vaf by Molmil](/molmil-images/mine/2vaf) | Crystal structure of Human Cardiac Calsequestrin | Descriptor: | CALSEQUESTRIN-2 | Authors: | Kim, E, Youn, B, Kemper, L, Campbell, C, Milting, H, Varsanyi, M, Kang, C. | Deposit date: | 2007-08-31 | Release date: | 2007-09-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Characterization of Human Cardiac Calsequestrin and its Deleterious Mutants. J.Mol.Biol., 373, 2007
|
|
3HCL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hcl by Molmil](/molmil-images/mine/3hcl) | Helical superstructures in a DNA oligonucleotide crystal | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*AP*T)-3') | Authors: | De Luchi, D, Martinez de Ilarduya, I, Subirana, J.A, Uson, I, Campos, J.L. | Deposit date: | 2009-05-06 | Release date: | 2010-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A geometric approach to the crystallographic solution of nonconventional DNA structures: helical superstructures of d(CGATAT) Angew.Chem.Int.Ed.Engl., 49, 2010
|
|
1NIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1niu by Molmil](/molmil-images/mine/1niu) | ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM L-CYCLOSERINE | Descriptor: | Alanine Racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | Deposit date: | 2002-12-26 | Release date: | 2003-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A side reaction of alanine racemase: transamination of cycloserine. Biochemistry, 42, 2003
|
|
2VH0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vh0 by Molmil](/molmil-images/mine/2vh0) | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | Deposit date: | 2007-11-16 | Release date: | 2008-11-25 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs. Bioorg. Med. Chem. Lett., 18, 2008
|
|
3HCT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hct by Molmil](/molmil-images/mine/3hct) | Crystal structure of TRAF6 in complex with Ubc13 in the P1 space group | Descriptor: | TNF receptor-associated factor 6, Ubiquitin-conjugating enzyme E2 N, ZINC ION | Authors: | Yin, Q, Lin, S.-C, Lamothe, B, Lu, M, Lo, Y.-C, Hura, G, Zheng, L, Rich, R.L, Campos, A.D, Myszka, D.G, Lenardo, M.J, Darnay, B.G, Wu, H. | Deposit date: | 2009-05-06 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | E2 interaction and dimerization in the crystal structure of TRAF6. Nat.Struct.Mol.Biol., 16, 2009
|
|
2VER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ver by Molmil](/molmil-images/mine/2ver) | Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | Descriptor: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | Authors: | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | Deposit date: | 2007-10-26 | Release date: | 2008-01-08 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation. Mol.Microbiol., 67, 2008
|
|
1NYF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nyf by Molmil](/molmil-images/mine/1nyf) | |
2VA5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2va5 by Molmil](/molmil-images/mine/2va5) | X-ray crystal structure of beta secretase complexed with compound 8c | Descriptor: | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
|
|
8E61
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e61 by Molmil](/molmil-images/mine/8e61) | Crystal structure of SARS-CoV-2 3CL protease in complex with a m-chlorophenyl dimethyl sulfane inhibitor | Descriptor: | (1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Madden, T.K, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
3I69
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3i69 by Molmil](/molmil-images/mine/3i69) | Apo Glutathione Transferase A1-1 GIMF-helix mutant | Descriptor: | GLUTATHIONE, Glutathione S-transferase A1 | Authors: | Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M. | Deposit date: | 2009-07-06 | Release date: | 2009-09-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals. Biochemistry, 48, 2009
|
|
2VHI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vhi by Molmil](/molmil-images/mine/2vhi) | Crystal structure of a pyrimidine degrading enzyme from Drosophila melanogaster | Descriptor: | CG3027-PA | Authors: | Lundgren, S, Lohkamp, B, Andersen, B, Piskur, J, Dobritzsch, D. | Deposit date: | 2007-11-21 | Release date: | 2008-03-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The Crystal Structure of Beta-Alanine Synthase from Drosophila Melanogaster Reveals a Homooctameric Helical Turn-Like Assembly. J.Mol.Biol., 377, 2008
|
|
1M7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1m7l by Molmil](/molmil-images/mine/1m7l) | Solution Structure of the Coiled-Coil Trimerization Domain from Lung Surfactant Protein D | Descriptor: | Pulmonary surfactant-associated protein D | Authors: | Kovacs, H, O'Donoghue, S.I, Hoppe, H.-J, Comfort, D, Reid, K.B.M, Campbell, I.D, Nilges, M. | Deposit date: | 2002-07-22 | Release date: | 2002-11-27 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of the coiled-coil trimerization domain from lung surfactant protein D J.BIOMOL.NMR, 24, 2002
|
|
8E6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e6e by Molmil](/molmil-images/mine/8e6e) | Crystal structure of MERS 3CL protease in complex with a phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, Orf1a protein | Authors: | Liu, L, Lovell, S, Battaile, K.P, Madden, T.K, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
|
|
2VH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vh6 by Molmil](/molmil-images/mine/2vh6) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E. | Deposit date: | 2007-11-19 | Release date: | 2008-12-16 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs. Bioorg.Med.Chem.Lett., 18, 2008
|
|
1MHX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mhx by Molmil](/molmil-images/mine/1mhx) | Crystal Structures of the redesigned protein G variant NuG1 | Descriptor: | immunoglobulin-binding protein G | Authors: | Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D. | Deposit date: | 2002-08-21 | Release date: | 2002-09-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2 Protein Sci., 11, 2002
|
|
2VGH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vgh by Molmil](/molmil-images/mine/2vgh) | HEPARIN-BINDING DOMAIN FROM VASCULAR ENDOTHELIAL GROWTH FACTOR, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | VASCULAR ENDOTHELIAL GROWTH FACTOR-165 | Authors: | Fairbrother, W.J, Champe, M.A, Christinger, H.W, Keyt, B.A, Starovasnik, M.A. | Deposit date: | 1997-12-17 | Release date: | 1998-04-08 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the heparin-binding domain of vascular endothelial growth factor. Structure, 6, 1998
|
|