5SC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc1 by Molmil](/molmil-images/mine/5sc1) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z431807512 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc2 by Molmil](/molmil-images/mine/5sc2) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z190780124 | Descriptor: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.208 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc3 by Molmil](/molmil-images/mine/5sc3) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z422471910 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc4 by Molmil](/molmil-images/mine/5sc4) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z927412236 | Descriptor: | (2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc5 by Molmil](/molmil-images/mine/5sc5) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z56827661 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.171 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc6 by Molmil](/molmil-images/mine/5sc6) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019 | Descriptor: | 1,2-ETHANEDIOL, CD44 antigen, DIMETHYL SULFOXIDE, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.327 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
5SC7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sc7 by Molmil](/molmil-images/mine/5sc7) | CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0120 | Descriptor: | (2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one, 1,2-ETHANEDIOL, CD44 antigen, ... | Authors: | Bradshaw, W.J, Katis, V.L, Bezerra, G.A, Koekemoer, L, von Delft, F, Bountra, C, Brennan, P.E, Gileadi, O. | Deposit date: | 2021-09-14 | Release date: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.197 Å) | Cite: | CD44 PanDDA analysis group deposition To Be Published
|
|
2YAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yal by Molmil](/molmil-images/mine/2yal) | SinR, Master Regulator of biofilm formation in Bacillus subtilis | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR SINR, NICKEL (II) ION | Authors: | Colledge, V.L, Fogg, M.J, Levdikov, V.M, Leech, A, Dodson, E.J, Wilkinson, A.J. | Deposit date: | 2011-02-23 | Release date: | 2011-06-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structure and Organisation of Sinr, the Master Regulator of Biofilm Formation in Bacillus Subtilis. J.Mol.Biol., 411, 2011
|
|
1ZOS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zos by Molmil](/molmil-images/mine/1zos) | Structure of 5'-methylthionadenosine/S-Adenosylhomocysteine nucleosidase from S. pneumoniae with a transition-state inhibitor MT-ImmA | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase | Authors: | Shi, W, Singh, V, Zhen, R, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2005-05-13 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and inhibition of a quorum sensing target from Streptococcus pneumoniae. Biochemistry, 45, 2006
|
|
5VJP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vjp by Molmil](/molmil-images/mine/5vjp) | Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with L-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (L-DIAB) and Adenine | Descriptor: | 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-04-19 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase. ACS Chem. Biol., 13, 2018
|
|
2A0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a0y by Molmil](/molmil-images/mine/2a0y) | Structure of human purine nucleoside phosphorylase H257D mutant | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | Deposit date: | 2005-06-17 | Release date: | 2006-06-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase. Biochemistry, 46, 2007
|
|
3ZR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zr9 by Molmil](/molmil-images/mine/3zr9) | Structure of New Delhi Metallo-Beta-lactamase 1 (NDM-1) | Descriptor: | BETA-LACTAMASE NDM-1, CADMIUM ION, COBALT (II) ION, ... | Authors: | Green, V.L, Verma, A, Owens, R.J, Phillips, S.E.V, Carr, S.B. | Deposit date: | 2011-06-15 | Release date: | 2011-06-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structure of New Delhi Metallo-Beta-Lactamase 1 (Ndm-1). Acta Crystallogr.,Sect.F, 67, 2011
|
|
3AU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3au0 by Molmil](/molmil-images/mine/3au0) | Structural and biochemical characterization of ClfB:ligand interactions | Descriptor: | Clumping factor B, MAGNESIUM ION | Authors: | Ganesh, V.K, Barbu, E.M, Deivanayagam, C.C.S, Le, B, Anderson, A.S, Matsuka, Y, Lin, S.L, Foster, T.F, Narayana, S.V.L, Hook, M. | Deposit date: | 2011-01-28 | Release date: | 2011-05-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and biochemical characterization of ClfB:ligand interactions To be published
|
|
5VJN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5vjn by Molmil](/molmil-images/mine/5vjn) | Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with D-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (D-DIAB) and Adenine | Descriptor: | 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-04-19 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase. ACS Chem. Biol., 13, 2018
|
|
1ZVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1zvm by Molmil](/molmil-images/mine/1zvm) | Crystal structure of human CD38: cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase | Descriptor: | ADP-ribosyl cyclase 1, SULFATE ION | Authors: | Shi, W, Yang, T, Almo, S.C, Schramm, V.L, Sauve, A. | Deposit date: | 2005-06-02 | Release date: | 2006-06-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human CD38: Cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase To be Published
|
|
2A0W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2a0w by Molmil](/molmil-images/mine/2a0w) | Structure of human purine nucleoside phosphorylase H257G mutant | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | Deposit date: | 2005-06-17 | Release date: | 2006-06-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase. Biochemistry, 46, 2007
|
|
3KBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kbe by Molmil](/molmil-images/mine/3kbe) | Metal-free C. elegans Cu,Zn Superoxide Dismutase | Descriptor: | Superoxide dismutase [Cu-Zn] | Authors: | Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J. | Deposit date: | 2009-10-20 | Release date: | 2010-10-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase To be Published
|
|
3LOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3loo by Molmil](/molmil-images/mine/3loo) | Crystal structure of Anopheles gambiae adenosine kinase in complex with P1,P4-di(adenosine-5) tetraphosphate | Descriptor: | Anopheles gambiae adenosine kinase, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, ... | Authors: | Ho, M.-C, Cassera, M.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-02-04 | Release date: | 2011-02-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A High-Affinity Adenosine Kinase from Anopheles gambiae. Biochemistry, 50, 2011
|
|
6HES
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hes by Molmil](/molmil-images/mine/6hes) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT050 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.128 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
|
|
6HEX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hex by Molmil](/molmil-images/mine/6hex) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATMM006 | Descriptor: | 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | Deposit date: | 2018-08-20 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.413 Å) | Cite: | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
|
|
3MP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mp9 by Molmil](/molmil-images/mine/3mp9) | Structure of Streptococcal protein G B1 domain at pH 3.0 | Descriptor: | FORMIC ACID, Immunoglobulin G-binding protein G | Authors: | Tomlinson, J.H, Green, V.L, Baker, P.J, Williamson, M.P. | Deposit date: | 2010-04-26 | Release date: | 2011-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural origins of pH-dependent chemical shifts in the B1 domain of protein G. Proteins, 78, 2010
|
|
4MAZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4maz by Molmil](/molmil-images/mine/4maz) | The Structure of MalL mutant enzyme V200S from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-18 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
|
|
4MB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mb1 by Molmil](/molmil-images/mine/4mb1) | The Structure of MalL mutant enzyme G202P from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Oligo-1,6-glucosidase 1 | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-19 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
|
|
3MB8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3mb8 by Molmil](/molmil-images/mine/3mb8) | Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H | Descriptor: | 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, GLYCEROL, PHOSPHATE ION, ... | Authors: | Ho, M, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-03-25 | Release date: | 2011-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase. Eukaryot Cell, 13, 2014
|
|
4M8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m8u by Molmil](/molmil-images/mine/4m8u) | The Structure of MalL mutant enzyme V200A from Bacillus subtilus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | Deposit date: | 2013-08-13 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
|
|