8BO3
 
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian | | Descriptor: | 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, Coagulation factor XIa light chain | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO5
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3 | | Descriptor: | 2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide, CITRIC ACID, Coagulation factor XIa light chain, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO6
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2 | | Descriptor: | (~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide, CITRIC ACID, Coagulation factor XIa light chain, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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8BO7
 | | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... | | Authors: | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.
J.Med.Chem., 66, 2023
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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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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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2X70
 | | 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: | 2010-02-22 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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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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2X4N
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment | | 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 (2.34 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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1L6U
 | | NMR STRUCTURE OF OXIDIZED ADRENODOXIN | | Descriptor: | Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-26 | | Last modified: | 2020-02-05 | | Method: | SOLUTION NMR | | Cite: | A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin.
Biochemistry, 41, 2002
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2X4S
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to a peptide representing the epitope of the H5N1 (Avian Flu) Nucleoprotein | | 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 (2.55 Å) | | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals
J.Am.Chem.Soc., 131, 2009
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2X4O
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 envelope peptide env120-128 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, ENVELOPE GLYCOPROTEIN GP160, ... | | 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: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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2XKS
 | | Prion-like conversion during amyloid formation at atomic resolution | | Descriptor: | BETA-2-MICROGLOBULIN | | Authors: | Eichner, T, Kalverda, A.P, Thompson, G.S, Radford, S.E, Homans, S.W. | | Deposit date: | 2010-07-12 | | Release date: | 2011-02-16 | | Last modified: | 2020-01-15 | | Method: | SOLUTION NMR | | Cite: | Conformational Conversion During Amyloid Formation at Atomic Resolution.
Mol.Cell, 41, 2011
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2X4R
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to Cytomegalovirus (CMV) pp65 epitope | | Descriptor: | 65 KDA PHOSPHOPROTEIN, 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: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
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2X89
 | | Structure of the Beta2_microglobulin involved in amyloidogenesis | | Descriptor: | ANTIBODY, BETA-2-MICROGLOBULIN | | Authors: | Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J. | | Deposit date: | 2010-03-07 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2XKU
 | | Prion-like conversion during amyloid formation at atomic resolution | | Descriptor: | BETA-2-MICROGLOBULIN | | Authors: | Eichner, T, Kalverda, A.P, Thompson, G.S, Homans, S.W, Radford, S.E. | | Deposit date: | 2010-07-12 | | Release date: | 2011-02-09 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Conformational Conversion During Amyloid Formation at Atomic Resolution.
Mol.Cell, 41, 2011
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1L6V
 | | STRUCTURE OF REDUCED BOVINE ADRENODOXIN | | Descriptor: | Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER | | Authors: | Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H. | | Deposit date: | 2002-03-14 | | Release date: | 2002-06-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin.
Biochemistry, 41, 2002
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2XPG
 | | Crystal structure of a MHC class I-peptide complex | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-3 ALPHA CHAIN, ... | | Authors: | McMahon, R.M, Friis, L, Siebold, C, Friese, M.A, Fugger, L, Jones, E.Y. | | Deposit date: | 2010-08-26 | | Release date: | 2011-04-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Hla-A0301 in Complex with a Peptide of Proteolipid Protein: Insights Into the Role of Hla-A Alleles in Susceptibility to Multiple Sclerosis
Acta Crystallogr.,Sect.D, 67, 2011
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2V2K
 | | THE CRYSTAL STRUCTURE OF FDXA, A 7FE FERREDOXIN FROM MYCOBACTERIUM SMEGMATIS | | Descriptor: | ACETATE ION, FE3-S4 CLUSTER, FERREDOXIN | | Authors: | Ricagno, S, de Rosa, M, Aliverti, A, Zanetti, G, Bolognesi, M. | | Deposit date: | 2007-06-06 | | Release date: | 2007-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of Fdxa, a 7Fe Ferredoxin from Mycobacterium Smegmatis.
Biochem.Biophys.Res.Commun., 360, 2007
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4XHD
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Khan, J.A, Camac, D.M. | | Deposit date: | 2015-01-05 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
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2QTL
 | | Crystal Structure of the FAD-containing FNR-like Module of Human Methionine Synthase Reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase | | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2007-08-02 | | Release date: | 2007-11-13 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry
Biochemistry, 46, 2007
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2QTZ
 | | Crystal Structure of the NADP+-bound FAD-containing FNR-like Module of Human Methionine Synthase Reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methionine synthase reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wolthers, K.R, Lou, X, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2007-08-02 | | Release date: | 2007-11-13 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of Coenzyme Binding to Human Methionine Synthase Reductase Revealed through the Crystal Structure of the FNR-like Module and Isothermal Titration Calorimetry
Biochemistry, 46, 2007
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5ESC
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7UW6
 | | The co-crystal structure of low molecular weight protein tyrosine phosphatase (LMW-PTP) with a small molecule inhibitor SPAA-2 | | Descriptor: | 2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid, Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Wang, J, Zhang, Z.Y. | | Deposit date: | 2022-05-02 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Design of Active-Site-Directed, Highly Potent, Selective, and Orally Bioavailable Low-Molecular-Weight Protein Tyrosine Phosphatase Inhibitors.
J.Med.Chem., 65, 2022
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2W6W
 | | Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon | | Descriptor: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | | Deposit date: | 2008-12-19 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Pattern of Cavities in Globins: The Case of Human Hemoglobin.
Biopolymers, 91, 2009
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