2J94
 
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1H-1,2,4-TRIAZOLE-3-SULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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2J2U
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE, COAGULATION FACTOR X HEAVY CHAIN, COAGULATION FACTOR X LIGHT CHAIN | | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | Deposit date: | 2006-08-17 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2J34
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Senger, S, Convery, M.A, Chan, C, Watson, N.S. | | Deposit date: | 2006-08-18 | | Release date: | 2006-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Arylsulfonamides: A Study of the Relationship between Activity and Conformational Preferences for a Series of Factor Xa Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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6DWF
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6KVM
 | | Crystal structure of Chicken MHC Class II for 1.9 angstrom | | Descriptor: | GLYCEROL, MHC class II alpha chain, MHC class II beta chain 2, ... | | Authors: | Zhang, L, Xia, C. | | Deposit date: | 2019-09-04 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.897 Å) | | Cite: | A Newly Recognized Pairing Mechanism of the alpha- and beta-Chains of the Chicken Peptide-MHC Class II Complex.
J Immunol., 204, 2020
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2N1E
 | | MAX1 peptide fibril | | Descriptor: | MAX1 peptide | | Authors: | Nagy-Smith, K, Moore, E, Schneider, J, Tycko, R. | | Deposit date: | 2015-03-30 | | Release date: | 2015-07-29 | | Last modified: | 2023-06-14 | | Method: | SOLID-STATE NMR | | Cite: | Molecular structure of monomorphic peptide fibrils within a kinetically trapped hydrogel network.
Proc.Natl.Acad.Sci.USA, 112, 2015
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7V7M
 | | crystal structure of SARS-CoV-2 3CL protease | | Descriptor: | 3C-like proteinase | | Authors: | Yi, Y, Zhang, M, Ye, M. | | Deposit date: | 2021-08-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
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6Y94
 | | Ca2+-bound Calmodulin mutant N53I | | Descriptor: | CALCIUM ION, Calmodulin | | Authors: | Holt, C, Nielsen, L.H, Lau, K, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Petegem, F.V, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-03-06 | | Release date: | 2020-04-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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6Y4P
 | | Calmodulin N53I variant bound to cardiac ryanodine receptor (RyR2) calmodulin binding domain | | Descriptor: | CALCIUM ION, Calmodulin-1, Ryanodine receptor 2 | | Authors: | Lau, K, Nielsen, L.H, Holt, C, Brohus, M, Sorensen, A.B, Larsen, K.T, Sommer, C, Van Petegem, F, Overgaard, M.T, Wimmer, R. | | Deposit date: | 2020-02-21 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13325572 Å) | | Cite: | The arrhythmogenic N53I variant subtly changes the structure and dynamics in the calmodulin N-terminal domain, altering its interaction with the cardiac ryanodine receptor.
J.Biol.Chem., 295, 2020
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7KJH
 | | Plasmodium falciparum protein Pf12p bound to nanobody B9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Nanobody B9, ... | | Authors: | Dietrich, M.H, Tham, W.H. | | Deposit date: | 2020-10-26 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nanobody generation and structural characterization of Plasmodium falciparum 6-cysteine protein Pf12p.
Biochem.J., 478, 2021
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7VO7
 | | Crystal structure of trypsin in complex with Lima bean trypsin inhibitor at 2.25A resolution. | | Descriptor: | Bowman-Birk type proteinase inhibitor, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ahmad, M.S, Akbar, Z, Choudhary, M.I. | | Deposit date: | 2021-10-12 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insight into the structural basis of the dual inhibitory mode of Lima bean (Phaseolus lunatus) serine protease inhibitor.
Proteins, 91, 2023
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6L4S
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6YS9
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2JYO
 | | NMR Solution structure of Human MIP-3alpha/CCL20 | | Descriptor: | C-C motif chemokine 20 (Small-inducible cytokine A20) (Macrophage inflammatory protein 3 alpha) (MIP-3-alpha) (Liver and activation-regulated chemokine) (CC chemokine LARC) (Beta chemokine exodus-1) | | Authors: | Chan, D.I, Hunter, H.N, Tack, B.F, Vogel, H.J. | | Deposit date: | 2007-12-14 | | Release date: | 2008-01-01 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Human macrophage inflammatory protein 3alpha: protein and peptide nuclear magnetic resonance solution structures, dimerization, dynamics, and anti-infective properties.
Antimicrob.Agents Chemother., 52, 2008
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2JT6
 | | Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of 3-4'-cyanobyphenyl-4-yloxy)-n-hdydroxypropionamide (MMP-3 inhibitor VII) | | Descriptor: | 3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide, CALCIUM ION, Stromelysin-1, ... | | Authors: | Alcaraz, L.A, Banci, L, Bertini, I, Cantini, F, Donaire, A, Gonnelli, L. | | Deposit date: | 2007-07-23 | | Release date: | 2008-02-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
J.Biol.Inorg.Chem., 12, 2007
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2JXY
 | | Solution structure of the hemopexin-like domain of MMP12 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase | | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M. | | Deposit date: | 2007-12-01 | | Release date: | 2008-05-27 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
J.Am.Chem.Soc., 130, 2008
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6LF8
 | | Crystal structure of pSLA-1*0401 complex with dodecapeptide RVEDVTNTAEYW | | Descriptor: | ARG-VAL-GLU-ASP-VAL-THR-ASN-THR-ALA-GLU-TYR-TRP, Beta-2-microglobulin, MHC class I antigen | | Authors: | Wei, X.H, Wang, S, Zhang, N.Z, Xia, C. | | Deposit date: | 2019-11-30 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Peptidomes of Swine MHC Class I with Long Peptides Reveal the Cross-Species Characteristics of the Novel N-Terminal Extension Presentation Mode.
J Immunol., 208, 2022
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6L7Z
 | | Solution NMR structure of the N-terminal immunoglobulin variable domain of BTNL2 | | Descriptor: | Butyrophilin-like protein 2 | | Authors: | Basak, A.J, Lee, W, Samanta, D, De, S. | | Deposit date: | 2019-11-03 | | Release date: | 2020-10-14 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structural Insights into N-terminal IgV Domain of BTNL2, a T Cell Inhibitory Molecule, Suggests a Non-canonical Binding Interface for Its Putative Receptors.
J.Mol.Biol., 432, 2020
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6UZ1
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2J95
 | | CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX | | Descriptor: | 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P. | | Deposit date: | 2006-11-02 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
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5TC4
 | | Crystal structure of human mitochondrial methylenetetrahydrofolate dehydrogenase-cyclohydrolase (MTHFD2) in complex with LY345899 and cofactors | | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, ... | | Authors: | Gustafsson, R, Jemth, A.-S, Gustafsson Sheppard, N, Farnegardh, K, Loseva, O, Wiita, E, Bonagas, N, Dahllund, L, Llona-Minguez, S, Haggblad, M, Henriksson, M, Andersson, Y, Homan, E, Helleday, T, Stenmark, P. | | Deposit date: | 2016-09-14 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal Structure of the Emerging Cancer Target MTHFD2 in Complex with a Substrate-Based Inhibitor.
Cancer Res., 77, 2017
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7W22
 | | Structure of the M. tuberculosis HtrA K436A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W25
 | | Structure of the M. tuberculosis HtrA S413A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W23
 | | Structure of the M. tuberculosis HtrA S363A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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7W24
 | | Structure of the M. tuberculosis HtrA N383A mutant | | Descriptor: | Probable serine protease HtrA1 | | Authors: | Gupta, A.K, Gopal, B. | | Deposit date: | 2021-11-21 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Allosteric Determinants in High Temperature Requirement A Enzymes Are Conserved and Regulate the Population of Active Conformations.
Acs Chem.Biol., 18, 2023
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