1GHP
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2VGC
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![BU of 2vgc by Molmil](/molmil-images/mine/2vgc) | GAMMA-CHYMOTRYPSIN D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-05-01 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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1GHI
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![BU of 1ghi by Molmil](/molmil-images/mine/1ghi) | STRUCTURE OF BETA-LACTAMASE GLU166ASP:ASN170GLN MUTANT | Descriptor: | BETA-LACTAMASE, CARBONATE ION | Authors: | Chen, C.C.H, Herzberg, O. | Deposit date: | 2000-12-18 | Release date: | 2001-04-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of the acyl-enzyme complexes of the Staphylococcus aureus beta-lactamase mutant Glu166Asp:Asn170Gln with benzylpenicillin and cephaloridine. Biochemistry, 40, 2001
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7OIL
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![BU of 7oil by Molmil](/molmil-images/mine/7oil) | mPI3Kd in complex with compound 58 | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OI4
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![BU of 7oi4 by Molmil](/molmil-images/mine/7oi4) | mPI3Kd in complex with compound 12 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIS
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![BU of 7ois by Molmil](/molmil-images/mine/7ois) | mPI3Kd in complex with compound 7 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-12 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OIJ
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![BU of 7oij by Molmil](/molmil-images/mine/7oij) | mPI3Kd in complex with an inhibitor | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7NXJ
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![BU of 7nxj by Molmil](/molmil-images/mine/7nxj) | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | Deposit date: | 2021-03-18 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma. Eur.J.Med.Chem., 221, 2021
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1NQN
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![BU of 1nqn by Molmil](/molmil-images/mine/1nqn) | Structure of Avm-W110K (W110K mutant of avidin) | Descriptor: | Avidin | Authors: | Pazy, Y, Eisenberg-Domovich, Y, Laitinen, O.H, Kulomaa, M.S, Bayer, E.A, Wilchek, M, Livnah, O. | Deposit date: | 2003-01-22 | Release date: | 2003-07-15 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Dimer-Tetramer Transition between Solution and Crystalline States of Streptavidin and Avidin Mutants. J.Bacteriol., 185, 2003
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7P20
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7OWE
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![BU of 7owe by Molmil](/molmil-images/mine/7owe) | Odinarchaeota Adenylate kinase (OdinAK) in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE | Authors: | Grundstrom, C, Aberg-Zingmark, E, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2021-06-18 | Release date: | 2022-09-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases. Sci Adv, 8, 2022
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1NU3
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![BU of 1nu3 by Molmil](/molmil-images/mine/1nu3) | Limonene-1,2-epoxide hydrolase in complex with valpromide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PROPYLPENTANAMIDE, limonene-1,2-epoxide hydrolase | Authors: | Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L. | Deposit date: | 2003-01-30 | Release date: | 2003-06-10 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site EMBO J., 22, 2003
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7PHG
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![BU of 7phg by Molmil](/molmil-images/mine/7phg) | MaP OF P5C3RBD Interface | Descriptor: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | Authors: | Perez, L. | Deposit date: | 2021-08-17 | Release date: | 2021-10-13 | Last modified: | 2021-10-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern. Cell Rep, 37, 2021
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7PER
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![BU of 7per by Molmil](/molmil-images/mine/7per) | Model of the inner ring of the human nuclear pore complex | Descriptor: | Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ... | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | Deposit date: | 2021-08-11 | Release date: | 2021-10-20 | Last modified: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The cellular environment shapes the nuclear pore complex architecture. Nature, 598, 2021
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1ZEA
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![BU of 1zea by Molmil](/molmil-images/mine/1zea) | Structure of the anti-cholera toxin antibody Fab fragment TE33 in complex with a D-peptide | Descriptor: | CITRIC ACID, monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain, ... | Authors: | Scheerer, P, Krauss, N, Wessner, H, Scholz, C, Otte, L, Seifert, M, Kramer, A, Schneider-Mergener, J, Hoehne, W. | Deposit date: | 2005-04-18 | Release date: | 2006-04-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of an anti-cholera toxin antibody Fab in complex with an epitope-derived D-peptide: a case of polyspecific recognition. J.Mol.Recognit., 20, 2007
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7PEQ
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![BU of 7peq by Molmil](/molmil-images/mine/7peq) | Model of the outer rings of the human nuclear pore complex | Descriptor: | Nuclear pore complex protein Nup107, Nuclear pore complex protein Nup133, Nuclear pore complex protein Nup160, ... | Authors: | Schuller, A.P, Wojtynek, M, Mankus, D, Tatli, M, Kronenberg-Tenga, R, Regmi, S.G, Dasso, M, Weis, K, Medalia, O, Schwartz, T.U. | Deposit date: | 2021-08-11 | Release date: | 2021-10-20 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The cellular environment shapes the nuclear pore complex architecture. Nature, 598, 2021
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1H0B
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![BU of 1h0b by Molmil](/molmil-images/mine/1h0b) | Endoglucanase cel12A from Rhodothermus marinus | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CELLULASE | Authors: | Crennell, S.J, Hreggvidsson, G.O, Nordberg-Karlsson, E. | Deposit date: | 2002-06-17 | Release date: | 2003-06-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Rhodothermus Marinus Cel12A, a Highly Thermostable Family 12 Endoglucanase, at 1.8 A Resolution J.Mol.Biol., 320, 2002
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1HB8
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![BU of 1hb8 by Molmil](/molmil-images/mine/1hb8) | Structure of bovine Acyl-CoA binding protein in tetragonal crystal form | Descriptor: | ACYL-COA BINDING PROTEIN, SULFATE ION | Authors: | Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A. | Deposit date: | 2001-04-12 | Release date: | 2002-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein J.Mol.Biol., 309, 2001
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1GQ5
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1N59
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![BU of 1n59 by Molmil](/molmil-images/mine/1n59) | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2KB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | Deposit date: | 2002-11-05 | Release date: | 2003-01-07 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of gp33
Revealed by Comparative Crystal Structure Analyses. Immunity, 17, 2002
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1N5A
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![BU of 1n5a by Molmil](/molmil-images/mine/1n5a) | Crystal structure of the Murine class I Major Histocompatibility Complex of H-2DB, B2-Microglobulin, and A 9-Residue immunodominant peptide epitope gp33 derived from LCMV | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, D-B alpha chain, ... | Authors: | Achour, A, Michaelsson, J, Harris, R.A, Odeberg, J, Grufman, P, Sandberg, J.K, Levitsky, V, Karre, K, Sandalova, T, Schneider, G. | Deposit date: | 2002-11-05 | Release date: | 2003-01-07 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Structural Basis for LCMV Immune Evasion. Subversion of H-2D(b) and H-2K(b) Presentation of
gp33 Revealed by Comparative Crystal Structure Analyses. Immunity, 17, 2002
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1HB6
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![BU of 1hb6 by Molmil](/molmil-images/mine/1hb6) | Structure of bovine Acyl-CoA binding protein in orthorhombic crystal form | Descriptor: | ACYL-COA BINDING PROTEIN, CADMIUM ION | Authors: | Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A. | Deposit date: | 2001-04-12 | Release date: | 2002-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein J.Mol.Biol., 309, 2001
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1XIP
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1NQM
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![BU of 1nqm by Molmil](/molmil-images/mine/1nqm) | Structure of Savm-W120K, streptavidin mutant | Descriptor: | BIOTIN, Streptavidin | Authors: | Pazy, Y, Eisenberg-Domovich, Y, Laitinen, O.H, Kulomaa, M.S, Bayer, E.A, Wilchek, M, Livnah, O. | Deposit date: | 2003-01-22 | Release date: | 2003-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dimer-Tetramer Transition between Solution and Crystalline States of Streptavidin and Avidin Mutants. J.Bacteriol., 185, 2003
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1NWW
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![BU of 1nww by Molmil](/molmil-images/mine/1nww) | Limonene-1,2-epoxide hydrolase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEPTANAMIDE, Limonene-1,2-epoxide hydrolase | Authors: | Arand, M, Hallberg, B.M, Zou, J, Bergfors, T, Oesch, F, van der Werf, M.J, de Bont, J.A.M, Jones, T.A, Mowbray, S.L. | Deposit date: | 2003-02-07 | Release date: | 2003-06-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site EMBO J., 22, 2003
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