1QBB
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![BU of 1qbb by Molmil](/molmil-images/mine/1qbb) | BACTERIAL CHITOBIASE COMPLEXED WITH CHITOBIOSE (DINAG) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITOBIASE, SULFATE ION | Authors: | Tews, I, Perrakis, A, Oppenheim, A, Dauter, Z, Wilson, K.S, Vorgias, C.E. | Deposit date: | 1996-06-07 | Release date: | 1997-02-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bacterial chitobiase structure provides insight into catalytic mechanism and the basis of Tay-Sachs disease. Nat.Struct.Biol., 3, 1996
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1QBA
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![BU of 1qba by Molmil](/molmil-images/mine/1qba) | BACTERIAL CHITOBIASE, GLYCOSYL HYDROLASE FAMILY 20 | Descriptor: | CHITOBIASE, SULFATE ION | Authors: | Tews, I, Perrakis, A, Oppenheim, A, Dauter, Z, Wilson, K.S, Vorgias, C.E. | Deposit date: | 1996-06-06 | Release date: | 1997-01-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Bacterial chitobiase structure provides insight into catalytic mechanism and the basis of Tay-Sachs disease. Nat.Struct.Biol., 3, 1996
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5DLT
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![BU of 5dlt by Molmil](/molmil-images/mine/5dlt) | Crystal structure of Autotaxin (ENPP2) with 7-alpha-hydroxycholesterol | Descriptor: | 7alpha-hydroxycholesterol, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Hausmann, J, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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5DLW
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![BU of 5dlw by Molmil](/molmil-images/mine/5dlw) | Crystal structure of Autotaxin (ENPP2) with tauroursodeoxycholic acid (TUDCA) and lysophosphatidic acid (LPA) | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 2-{[(3alpha,5beta,7alpha,8alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid, CALCIUM ION, ... | Authors: | Keune, W.J, Heidebrecht, T, Joosten, R.P, Perrakis, A. | Deposit date: | 2015-09-07 | Release date: | 2016-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Steroid binding to Autotaxin links bile salts and lysophosphatidic acid signalling. Nat Commun, 7, 2016
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2W8F
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![BU of 2w8f by Molmil](/molmil-images/mine/2w8f) | Aplysia californica AChBP bound to in silico compound 31 | Descriptor: | (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | Deposit date: | 2009-01-16 | Release date: | 2009-04-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
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2W8G
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![BU of 2w8g by Molmil](/molmil-images/mine/2w8g) | Aplysia californica AChBP bound to in silico compound 35 | Descriptor: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | Deposit date: | 2009-01-16 | Release date: | 2009-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis. J.Med.Chem., 52, 2009
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4PG9
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![BU of 4pg9 by Molmil](/molmil-images/mine/4pg9) | MHC Class I in complex with Sendai virus nucleoprotein peptide FAPGNYPAL | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PGE
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![BU of 4pge by Molmil](/molmil-images/mine/4pge) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAW | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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7Z5G
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![BU of 7z5g by Molmil](/molmil-images/mine/7z5g) | human apo MATCAP | Descriptor: | Uncharacterized protein KIAA0895-like | Authors: | Bak, J, Adamoupolos, A, Heidebrecht, T, Perrakis, A. | Deposit date: | 2022-03-09 | Release date: | 2022-05-11 | Last modified: | 2022-06-01 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Posttranslational modification of microtubules by the MATCAP detyrosinase. Science, 376, 2022
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4ZKL
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![BU of 4zkl by Molmil](/molmil-images/mine/4zkl) | Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) complexed with JB419 (AP4A analog) | Descriptor: | (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1 | Authors: | Dolot, R.M, Kaczmarek, R, Seda, A, Krakowiak, A, Baraniak, J, Nawrot, B. | Deposit date: | 2015-04-30 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A. Int.J.Biol.Macromol., 87, 2016
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1EPU
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![BU of 1epu by Molmil](/molmil-images/mine/1epu) | X-RAY crystal structure of neuronal SEC1 from squid | Descriptor: | S-SEC1 | Authors: | Bracher, A, Perrakis, A, Dresbach, T, Betz, H, Weissenhorn, W. | Deposit date: | 2000-03-29 | Release date: | 2000-08-09 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The X-ray crystal structure of neuronal Sec1 from squid sheds new light on the role of this protein in exocytosis. Structure Fold.Des., 8, 2000
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4PGC
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![BU of 4pgc by Molmil](/molmil-images/mine/4pgc) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGN(3,5-diiodotyrosine)PAL | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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6MFQ
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![BU of 6mfq by Molmil](/molmil-images/mine/6mfq) | Crystal structure of a PMS2 variant | Descriptor: | Mismatch repair endonuclease PMS2 | Authors: | D'Arcy, B.M, Prakash, A. | Deposit date: | 2018-09-11 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Biochemical and structural characterization of two variants of uncertain significance in the PMS2 gene. Hum. Mutat., 40, 2019
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4PGD
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![BU of 4pgd by Molmil](/molmil-images/mine/4pgd) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNYPAF | Descriptor: | Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ... | Authors: | Celie, P, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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4PGB
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![BU of 4pgb by Molmil](/molmil-images/mine/4pgb) | MHC Class I in complex with modified Sendai virus nucleoprotein peptide FAPGNWPAL | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Celie, P.H.N, Joosten, R.P, Perrakis, A, Neefjes, J. | Deposit date: | 2014-05-01 | Release date: | 2015-01-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The first step of peptide selection in antigen presentation by MHC class I molecules. Proc.Natl.Acad.Sci.USA, 112, 2015
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2WVR
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![BU of 2wvr by Molmil](/molmil-images/mine/2wvr) | Human Cdt1:Geminin complex | Descriptor: | DNA REPLICATION FACTOR CDT1, GEMININ | Authors: | De Marco, V, Perrakis, A. | Deposit date: | 2009-10-19 | Release date: | 2009-10-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Quaternary Structure of the Human Cdt1-Geminin Complex Regulates DNA Replication Licensing. Proc.Natl.Acad.Sci.USA, 106, 2009
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7Z5H
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![BU of 7z5h by Molmil](/molmil-images/mine/7z5h) | human Zn MATCAP | Descriptor: | Uncharacterized protein KIAA0895-like, ZINC ION | Authors: | Bak, J, Adamopoulos, A, Heidebrecht, T, Perrakis, A. | Deposit date: | 2022-03-09 | Release date: | 2022-05-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Posttranslational modification of microtubules by the MATCAP detyrosinase. Science, 376, 2022
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7ZW4
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![BU of 7zw4 by Molmil](/molmil-images/mine/7zw4) | Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide | Descriptor: | Caskin-2, Talin-1 | Authors: | Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A. | Deposit date: | 2022-05-18 | Release date: | 2023-05-31 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility. J.Cell.Sci., 137, 2024
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5C9N
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![BU of 5c9n by Molmil](/molmil-images/mine/5c9n) | Crystal structure of GEMC1 coiled-coil domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Geminin coiled-coil domain-containing protein 1 | Authors: | Caillat, C, Perrakis, A. | Deposit date: | 2015-06-28 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of the GemC1 coiled coil and its interaction with the Geminin family of coiled-coil proteins. Acta Crystallogr.,Sect.D, 71, 2015
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2Y7Y
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![BU of 2y7y by Molmil](/molmil-images/mine/2y7y) | APLYSIA CALIFORNICA ACHBP IN APO STATE | Descriptor: | SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J. | Deposit date: | 2011-02-02 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis. J.Med.Chem., 52, 2009
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2X4Q
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![BU of 2x4q by Molmil](/molmil-images/mine/2x4q) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2X4T
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![BU of 2x4t by Molmil](/molmil-images/mine/2x4t) | Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ... | Authors: | Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2X4P
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![BU of 2x4p by Molmil](/molmil-images/mine/2x4p) | Crystal structure of MHC CLass I HLA-A2.1 bound to a photocleavable peptide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger. J.Am.Chem.Soc., 131, 2009
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2XR9
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![BU of 2xr9 by Molmil](/molmil-images/mine/2xr9) | Crystal structure of Autotaxin (ENPP2) | Descriptor: | CALCIUM ION, ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE FAMILY MEMBER 2, IODIDE ION, ... | Authors: | Kamtekar, S, Hausmann, J, Day, J.E, Christodoulou, E, Perrakis, A. | Deposit date: | 2010-09-13 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis of substrate discrimination and integrin binding by autotaxin. Nat. Struct. Mol. Biol., 18, 2011
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1DCS
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![BU of 1dcs by Molmil](/molmil-images/mine/1dcs) | DEACETOXYCEPHALOSPORIN C SYNTHASE FROM S. CLAVULIGERUS | Descriptor: | DEACETOXYCEPHALOSPORIN C SYNTHASE, SULFATE ION | Authors: | Valegard, K, Terwisscha Van Scheltinga, A.C, Lloyd, M.D, Hara, T, Ramaswamy, S, Perrakis, A, Thompson, A, Lee, H.J, Baldwin, J.E, Schofield, C.J, Hajdu, J, Andersson, I. | Deposit date: | 1998-06-05 | Release date: | 1999-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of a cephalosporin synthase. Nature, 394, 1998
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