1ZPB
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![BU of 1zpb by Molmil](/molmil-images/mine/1zpb) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide | Descriptor: | 4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
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1ZPC
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![BU of 1zpc by Molmil](/molmil-images/mine/1zpc) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-[2-(3-Chloro-phenyl)-2-hydroxy-acetylamino]-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-3-methyl-butyramide | Descriptor: | 2-[2-(3-CHLORO-PHENYL)-2-HYDROXY-ACETYLAMINO]-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-3-METHYL-BUTYRAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Deng, H, Bannister, T.D, Jin, L, Nagafuji, P, Celatka, C.A, Lin, J, Lazarova, T.I, Rynkiewicz, M.J, Quinn, J, Bibbins, F, Pandey, P, Gorga, J, Babine, R.E, Meyers, H.V, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-05-16 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine Bioorg.Med.Chem.Lett., 16, 2006
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1ZML
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![BU of 1zml by Molmil](/molmil-images/mine/1zml) | Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine | Descriptor: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE, BICARBONATE ION, Coagulation factor XI, ... | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E. | Deposit date: | 2005-05-10 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
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1ZTJ
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![BU of 1ztj by Molmil](/molmil-images/mine/1ztj) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Benzylamino-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | Descriptor: | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, BICARBONATE ION, Coagulation factor XI, ... | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. | Deposit date: | 2005-05-27 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
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1ZSJ
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![BU of 1zsj by Molmil](/molmil-images/mine/1zsj) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in complex with N-(7-Carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide | Descriptor: | BICARBONATE ION, Coagulation factor XI, N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-YL)-3-HYDROXY-2-METHYL-BENZAMIDE, ... | Authors: | Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S. | Deposit date: | 2005-05-24 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
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1ZSK
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![BU of 1zsk by Molmil](/molmil-images/mine/1zsk) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 6-Carbamimidoyl-4-(3-hydroxy-2-methyl-benzoylamino)-naphthalene-2-carboxylic acid methyl ester | Descriptor: | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER, BICARBONATE ION, Coagulation factor XI, ... | Authors: | Guo, Z, Bannister, T, Noll, R, Jin, L, Rynkiewicz, M, Bibbins, F, Magee, S, Gorga, J, Babine, R.E, Strickler, J.E, Meyers, H.V, Abdel-Meguid, S.S. | Deposit date: | 2005-05-24 | Release date: | 2006-05-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and Optimization of Potent and Selective Inhibitors for Human Factor XIa: Substituted Naphthamidine Series To be Published
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1ZMJ
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![BU of 1zmj by Molmil](/molmil-images/mine/1zmj) | Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid | Descriptor: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Coagulation factor XI, ... | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E. | Deposit date: | 2005-05-10 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
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1ZSL
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![BU of 1zsl by Molmil](/molmil-images/mine/1zsl) | Factor XI complexed with a pyrimidinone inhibitor | Descriptor: | 2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE, Coagulation factor XI | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J, Abdel-Meguid, S. | Deposit date: | 2005-05-24 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
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1ZLR
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![BU of 1zlr by Molmil](/molmil-images/mine/1zlr) | Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate | Descriptor: | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE, Coagulation factor XI, GLYCEROL, ... | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R, Strickler, J. | Deposit date: | 2005-05-09 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
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1ZTL
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![BU of 1ztl by Molmil](/molmil-images/mine/1ztl) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide | Descriptor: | Coagulation factor XI, N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE, SULFATE ION | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J.E, Abdel-Meguid, S.S. | Deposit date: | 2005-05-27 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
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1ZTK
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![BU of 1ztk by Molmil](/molmil-images/mine/1ztk) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | Descriptor: | 2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, Coagulation factor XI, SULFATE ION | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. | Deposit date: | 2005-05-27 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
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1ZMN
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![BU of 1zmn by Molmil](/molmil-images/mine/1zmn) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine | Descriptor: | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE, Coagulation factor XI, SULFATE ION | Authors: | Lazarova, T.I, Jin, L, Rynkiewicz, M.J, Gorga, J.C, Bibbins, F, Meyers, H.V, Babine, R.E, Strickler, J.E. | Deposit date: | 2005-05-10 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. Bioorg.Med.Chem.Lett., 16, 2006
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5NHY
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![BU of 5nhy by Molmil](/molmil-images/mine/5nhy) | BAY-707 in complex with MTH1 | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, SULFATE ION, ... | Authors: | Ellermann, M, Eheim, A, Giese, A, Bunse, S, Nowak-Reppel, K, Neuhaus, R, Weiske, J, Quanz, M, Glasauer, A, Meyer, H, Queisser, N, Irlbacher, H, Bader, B, Rahm, F, Viklund, J, Andersson, M, Ericsson, U, Ginman, T, Forsblom, R, Lindstrom, J, Silvander, C, Tresaugues, L, Gorjanacz, M. | Deposit date: | 2017-03-22 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target. ACS Chem. Biol., 12, 2017
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8B5R
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![BU of 8b5r by Molmil](/molmil-images/mine/8b5r) | p97-p37-SPI substrate complex | Descriptor: | I3 sequence being threaded through the p97 channel, Protein phosphatase 1 regulatory subunit 7, Serine/threonine-protein phosphatase PP1-gamma catalytic subunit, ... | Authors: | van den Boom, J, Marini, G, Meyer, H, Saibil, H. | Deposit date: | 2022-09-24 | Release date: | 2023-06-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structural basis of ubiquitin-independent PP1 complex disassembly by p97. Embo J., 42, 2023
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1NJ3
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![BU of 1nj3 by Molmil](/molmil-images/mine/1nj3) | Structure and Ubiquitin Interactions of the Conserved NZF Domain of Npl4 | Descriptor: | NPL4, ZINC ION | Authors: | Wang, B, Alam, S.L, Meyer, H.H, Payne, M, Stemmler, T.L, Davis, D.R, Sundquist, W.I. | Deposit date: | 2002-12-30 | Release date: | 2003-04-22 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structure and ubiquitin interactions of the conserved zinc finger domain of Npl4. J.Biol.Chem., 278, 2003
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4EL6
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![BU of 4el6 by Molmil](/molmil-images/mine/4el6) | Crystal structure of IPSE/alpha-1 from Schistosoma mansoni eggs | Descriptor: | IL-4-inducing protein | Authors: | Mayerhofer, H, Meyer, H, Tripsianes, K, Barths, D, Blindow, S, Bade, S, Madl, T, Frey, A, Haas, H, Sattler, M, Schramm, G, Mueller-Dieckmann, J. | Deposit date: | 2012-04-10 | Release date: | 2013-04-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure and functional analysis of IPSE/alpha-1, an IL-4-inducing factor secreted from Schistosoma mansoni eggs, reveals an IgE-binding crystallin fold To be Published
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4BXU
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![BU of 4bxu by Molmil](/molmil-images/mine/4bxu) | Structure of Pex14 in complex with Pex5 LVxEF motif | Descriptor: | PEROXISOMAL MEMBRANE PROTEIN PEX14, PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR | Authors: | Kooshapur, H, Meyer, H.N, Madl, T, Sattler, M. | Deposit date: | 2013-07-15 | Release date: | 2013-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Novel Pex14 Interacting Site of Human Pex5 is Critical for Matrix Protein Import Into Peroxisomes. J.Biol.Chem., 289, 2014
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5BPK
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![BU of 5bpk by Molmil](/molmil-images/mine/5bpk) | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases | Descriptor: | (2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic acid, 1,2-ETHANEDIOL, Gamma-glutamyltranspeptidase (Ggt) | Authors: | Bolz, C, Bach, N.C, Meyer, H, Mueller, G, Dawidowski, M, Popowicz, G, Sieber, S.A, Skerra, A, Gerhard, M. | Deposit date: | 2015-05-28 | Release date: | 2016-05-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Varying binding modes of inhibitors and structural differences in the binding pockets of different gamma-glutamyltranspeptidases To Be Published
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1Q5W
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![BU of 1q5w by Molmil](/molmil-images/mine/1q5w) | Ubiquitin Recognition by Npl4 Zinc-Fingers | Descriptor: | Ubiquitin, ZINC ION, homolog of yeast nuclear protein localization 4 | Authors: | Alam, S.L, Sun, J, Payne, M, Welch, B.D, Blake, B.K, Davis, D.R, Meyer, H.H, Emr, S.D, Sundquist, W.I. | Deposit date: | 2003-08-11 | Release date: | 2004-03-30 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Ubiquitin interactions of NZF zinc fingers. Embo J., 23, 2004
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2PJH
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![BU of 2pjh by Molmil](/molmil-images/mine/2pjh) | Strctural Model of the p97 N domain- npl4 UBD complex | Descriptor: | Nuclear protein localization protein 4 homolog, Transitional endoplasmic reticulum ATPase | Authors: | Isaacson, R, Pye, V.E, Simpson, S, Meyer, H.H, Zhang, X, Freemont, P. | Deposit date: | 2007-04-16 | Release date: | 2007-05-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Detailed structural insights into the p97-Npl4-Ufd1 interface. J.Biol.Chem., 282, 2007
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