4BQD
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![BU of 4bqd by Molmil](/molmil-images/mine/4bqd) | KD1 of human TFPI in complex with a synthetic peptide | Descriptor: | GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT | Authors: | Griessner, A, Brandstetter, H. | Deposit date: | 2013-05-30 | Release date: | 2013-12-04 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi) J.Biol.Chem., 289, 2014
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6GN5
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![BU of 6gn5 by Molmil](/molmil-images/mine/6gn5) | CRYSTAL STRUCTURE OF HUMAN GRAMD1C START DOMAIN | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GRAM domain-containing protein 1C | Authors: | Friese, A, Vetter, I.R. | Deposit date: | 2018-05-30 | Release date: | 2019-06-19 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | The cholesterol transfer protein GRAMD1A regulates autophagosome biogenesis. Nat.Chem.Biol., 15, 2019
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1LI1
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![BU of 1li1 by Molmil](/molmil-images/mine/1li1) | The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link | Descriptor: | ACETATE ION, Collagen alpha 1(IV), Collagen alpha 2(IV) | Authors: | Than, M.E, Henrich, S, Huber, R, Ries, A, Mann, K, Kuhn, K, Timpl, R, Bourenkov, G.P, Bartunik, H.D, Bode, W. | Deposit date: | 2002-04-17 | Release date: | 2002-05-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link. Proc.Natl.Acad.Sci.USA, 99, 2002
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1GL4
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![BU of 1gl4 by Molmil](/molmil-images/mine/1gl4) | Nidogen-1 G2/Perlecan IG3 Complex | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ... | Authors: | Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E. | Deposit date: | 2001-08-23 | Release date: | 2001-11-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan Embo J., 20, 2001
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1H4U
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![BU of 1h4u by Molmil](/molmil-images/mine/1h4u) | Domain G2 of mouse nidogen-1 | Descriptor: | NIDOGEN-1 | Authors: | Hopf, M, Gohring, W, Ries, A, Timpl, R, Hohenester, E. | Deposit date: | 2001-05-14 | Release date: | 2001-06-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure and Mutational Analysis of a Perlecan-Binding Fragment of Nidogen-1 Nat.Struct.Biol., 8, 2001
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1C1Z
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![BU of 1c1z by Molmil](/molmil-images/mine/1c1z) | CRYSTAL STRUCTURE OF HUMAN BETA-2-GLYCOPROTEIN-I (APOLIPOPROTEIN-H) | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA2-GLYCOPROTEIN-I, ... | Authors: | Schwarzenbacher, R, Zeth, K, Diederichs, K, Gries, A, Kostner, G.M, Laggner, P, Prassl, R. | Deposit date: | 1999-07-22 | Release date: | 1999-11-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Crystal structure of human beta2-glycoprotein I: implications for phospholipid binding and the antiphospholipid syndrome. EMBO J., 18, 1999
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6HGY
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![BU of 6hgy by Molmil](/molmil-images/mine/6hgy) | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | Descriptor: | Cathepsin K, THALASSOSPIRAMIDE C | Authors: | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | Deposit date: | 2018-08-23 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action. Org.Lett., 21, 2019
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1G4I
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![BU of 1g4i by Molmil](/molmil-images/mine/1g4i) | Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | Authors: | Steiner, R.A, Rozeboom, H.J, de Vries, A, Kalk, K.H, Murshudov, G.N, Wilson, K.S, Dijkstra, B.W. | Deposit date: | 2000-10-27 | Release date: | 2001-04-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution. Acta Crystallogr.,Sect.D, 57, 2001
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6MQ3
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![BU of 6mq3 by Molmil](/molmil-images/mine/6mq3) | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocycle Inhibitor 63 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Insulin-degrading enzyme, {(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol | Authors: | Tan, G.A, Seeliger, M.A, Welsh, A.J, Maianti, J.P, Liu, D.R. | Deposit date: | 2018-10-09 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.569147 Å) | Cite: | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme. Nat.Chem.Biol., 15, 2019
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6TPF
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![BU of 6tpf by Molmil](/molmil-images/mine/6tpf) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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7SAG
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![BU of 7sag by Molmil](/molmil-images/mine/7sag) | |
1OXS
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![BU of 1oxs by Molmil](/molmil-images/mine/1oxs) | Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus | Descriptor: | ABC transporter, ATP binding protein, IODIDE ION | Authors: | Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M. | Deposit date: | 2003-04-03 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus:
nucleotide-free and nucleotide-bound conformations J.Mol.Biol., 330, 2003
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4LTE
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![BU of 4lte by Molmil](/molmil-images/mine/4lte) | Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor | Descriptor: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ... | Authors: | Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R. | Deposit date: | 2013-07-23 | Release date: | 2014-05-21 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones. Nature, 511, 2014
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6S41
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![BU of 6s41 by Molmil](/molmil-images/mine/6s41) | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | Descriptor: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | Authors: | Focken, T, Maskos, K, Griessner, A, Krapp, S. | Deposit date: | 2019-06-26 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62, 2019
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6EDS
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![BU of 6eds by Molmil](/molmil-images/mine/6eds) | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J. | Deposit date: | 2018-08-10 | Release date: | 2019-04-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.18071723 Å) | Cite: | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme. Nat.Chem.Biol., 15, 2019
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4IIQ
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![BU of 4iiq by Molmil](/molmil-images/mine/4iiq) | Crystal structure of a human MAIT TCR in complex with bovine MR1 | Descriptor: | Beta-2-microglobulin, MHC class I-related protein, Human Mucosal Associated Invariant T cell receptor alpha chain, ... | Authors: | Lopez-Sagaseta, J, Adams, E.J. | Deposit date: | 2012-12-20 | Release date: | 2013-04-24 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins. Proc.Natl.Acad.Sci.USA, 110, 2013
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4LCC
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![BU of 4lcc by Molmil](/molmil-images/mine/4lcc) | Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1 | Descriptor: | 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol, Beta-2-microglobulin, MHC class I-related protein, ... | Authors: | Lopez-Sagaseta, J, Adams, E.J. | Deposit date: | 2013-06-21 | Release date: | 2013-10-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3.263 Å) | Cite: | MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1. J.Immunol., 191, 2013
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4L8S
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![BU of 4l8s by Molmil](/molmil-images/mine/4l8s) | |
4L9L
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![BU of 4l9l by Molmil](/molmil-images/mine/4l9l) | |
4LA7
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![BU of 4la7 by Molmil](/molmil-images/mine/4la7) | X-ray crystal structure of the PYL2-quinabactin-Hab1 ternary complex | Descriptor: | ACETATE ION, Abscisic acid receptor PYL2, GLYCEROL, ... | Authors: | Peterson, F.C, Volkman, B.F, Cutler, S.R. | Deposit date: | 2013-06-19 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Activation of dimeric ABA receptors elicits guard cell closure, ABA-regulated gene expression, and drought tolerance. Proc.Natl.Acad.Sci.USA, 110, 2013
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6Y9S
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![BU of 6y9s by Molmil](/molmil-images/mine/6y9s) | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | Descriptor: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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6Y9R
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![BU of 6y9r by Molmil](/molmil-images/mine/6y9r) | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | Descriptor: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Last modified: | 2020-07-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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6V06
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![BU of 6v06 by Molmil](/molmil-images/mine/6v06) | Crystal structure of Beta-2 glycoprotein I purified from plasma (pB2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-glycoprotein 1, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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6V09
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![BU of 6v09 by Molmil](/molmil-images/mine/6v09) | Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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6V08
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![BU of 6v08 by Molmil](/molmil-images/mine/6v08) | Crystal structure of human recombinant Beta-2 glycoprotein I (hrB2GPI) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ... | Authors: | Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N. | Deposit date: | 2019-11-18 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome. J.Biol.Chem., 295, 2020
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