1RVT
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![BU of 1rvt by Molmil](/molmil-images/mine/1rvt) | 1930 H1 Hemagglutinin in complex with LSTC | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | Deposit date: | 2003-12-15 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin. Science, 303, 2004
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1EEZ
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2LK6
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![BU of 2lk6 by Molmil](/molmil-images/mine/2lk6) | NMR determination of the global structure of the Cd-113 derivative of desulforedoxin | Descriptor: | CADMIUM ION, Desulforedoxin | Authors: | Goodfellow, B.J, Rusnak, F, Moura, I, Domke, T, Moura, J.J.G. | Deposit date: | 2011-10-07 | Release date: | 2012-01-25 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR determination of the global structure of the 113Cd derivative of desulforedoxin: investigation of the hydrogen bonding pattern at the metal center. Protein Sci., 7, 1998
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3V9J
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4Q71
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![BU of 4q71 by Molmil](/molmil-images/mine/4q71) | Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ... | Authors: | Tanner, J.J, Luo, M, Pemberton, T.A. | Deposit date: | 2014-04-23 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A. Biochemistry, 53, 2014
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7SQN
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4QD6
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![BU of 4qd6 by Molmil](/molmil-images/mine/4qd6) | ITK kinase domain in complex with inhibitor compound | Descriptor: | Tyrosine-protein kinase ITK/TSK, trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol | Authors: | McEwan, P.A, Barker, J.J, Eigenbrot, C. | Deposit date: | 2014-05-13 | Release date: | 2015-01-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK). Bioorg.Med.Chem.Lett., 24, 2014
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7STU
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![BU of 7stu by Molmil](/molmil-images/mine/7stu) | Crystal structure of sulfatase from Pedobacter yulinensis | Descriptor: | BROMIDE ION, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ... | Authors: | O'Malley, A, Schlachter, C.R, Grimes, L.L, Tomashek, J.J, Lee, A.L, Chruszcz, M. | Deposit date: | 2021-11-15 | Release date: | 2022-01-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Purification, Characterization, and Structural Studies of a Sulfatase from Pedobacter yulinensis . Molecules, 27, 2021
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1RV0
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![BU of 1rv0 by Molmil](/molmil-images/mine/1rv0) | 1930 Swine H1 Hemagglutinin complexed with LSTA | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose, hemagglutinin | Authors: | Skehel, J.J, Gamblin, S.J, Haire, L.F, Russell, R.J, Stevens, D.J, Xiao, B, Ha, Y, Vasisht, N, Steinhauer, D.A, Daniels, R.S. | Deposit date: | 2003-12-12 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure and receptor binding properties of the 1918 influenza hemagglutinin. Science, 303, 2004
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2LJB
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1SFI
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![BU of 1sfi by Molmil](/molmil-images/mine/1sfi) | High resolution structure of a potent, cyclic protease inhibitor from sunflower seeds | Descriptor: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | Authors: | Luckett, S, Garcia, R.S, Barker, J.J, Konarev, A.V, Shewry, P, Clarke, A.R, Brady, R.L. | Deposit date: | 1998-12-16 | Release date: | 1999-07-09 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-resolution structure of a potent, cyclic proteinase inhibitor from sunflower seeds. J.Mol.Biol., 290, 1999
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2LEF
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![BU of 2lef by Molmil](/molmil-images/mine/2lef) | LEF1 HMG DOMAIN (FROM MOUSE), COMPLEXED WITH DNA (15BP), NMR, 12 STRUCTURES | Descriptor: | DNA (5'-D(*CP*AP*CP*CP*CP*TP*TP*TP*GP*AP*AP*GP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*CP*TP*TP*CP*AP*AP*AP*GP*GP*GP*TP*G)-3'), PROTEIN (LYMPHOID ENHANCER-BINDING FACTOR) | Authors: | Li, X, Love, J.J, Case, D.A, Wright, P.E. | Deposit date: | 1998-10-13 | Release date: | 1998-10-21 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Structural basis for DNA bending by the architectural transcription factor LEF-1. Nature, 376, 1995
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7SWI
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![BU of 7swi by Molmil](/molmil-images/mine/7swi) | cTnC-TnI chimera complexed with A2 | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ... | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | Deposit date: | 2021-11-19 | Release date: | 2022-04-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin. Biochemistry, 61, 2022
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7SUP
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![BU of 7sup by Molmil](/molmil-images/mine/7sup) | NMR structure of cTnC-TnI chimera bound to calcium and A1 | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ... | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | Deposit date: | 2021-11-17 | Release date: | 2022-04-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin. Biochemistry, 61, 2022
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7SVC
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![BU of 7svc by Molmil](/molmil-images/mine/7svc) | NMR structure of cTnC-TnI chimera bound to calcium and A2 | Descriptor: | 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ... | Authors: | Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D. | Deposit date: | 2021-11-18 | Release date: | 2022-04-06 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural and Thermodynamic Model for the Activation of Cardiac Troponin. Biochemistry, 61, 2022
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3V9H
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3OA7
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![BU of 3oa7 by Molmil](/molmil-images/mine/3oa7) | Structure of the C-terminal domain of Cnm67, a core component of the spindle pole body of Saccharomyces cerevisiae | Descriptor: | Head morphogenesis protein, Chaotic nuclear migration protein 67 fusion protein | Authors: | Klenchin, V.A, Frye, J.J, Rayment, I. | Deposit date: | 2010-08-04 | Release date: | 2011-03-23 | Last modified: | 2017-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-function analysis of the C-terminal domain of CNM67, a core component of the Saccharomyces cerevisiae spindle pole body. J.Biol.Chem., 286, 2011
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7NTH
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![BU of 7nth by Molmil](/molmil-images/mine/7nth) | Structure of TAK1 in complex with compound 54 | Descriptor: | 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | Deposit date: | 2021-03-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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7NTI
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![BU of 7nti by Molmil](/molmil-images/mine/7nti) | Structure of TAK1 in complex with compound 22 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ... | Authors: | Veerman, J.J.N, Bruseker, Y.B, Damen, E, Heijne, E.H, van Bruggen, W, Hekking, K.F.W, Winkel, R, Hupp, C.D, Keefe, A.D, Liu, J, Thomson, H.A, Zhang, Y, Cuozzo, J.W, McRiner, A.J, Mulvihill, M.J, van Rijnsbergen, P, Zech, B, Renzetti, L.M, Babiss, L, Mueller, G. | Deposit date: | 2021-03-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Discovery of 2,4-1 H -Imidazole Carboxamides as Potent and Selective TAK1 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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1SBX
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![BU of 1sbx by Molmil](/molmil-images/mine/1sbx) | Crystal structure of the Dachshund-homology domain of human SKI | Descriptor: | Ski oncogene | Authors: | Wilson, J.J, Malakhova, M, Zhang, R, Joachimiak, A, Hegde, R.S. | Deposit date: | 2004-02-11 | Release date: | 2004-05-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of the Dachshund Homology Domain of human SKI Structure, 12, 2004
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4Q72
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![BU of 4q72 by Molmil](/molmil-images/mine/4q72) | Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779Y | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ... | Authors: | Tanner, J.J, Pemberton, T.A, Luo, M. | Deposit date: | 2014-04-23 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A. Biochemistry, 53, 2014
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1SIR
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![BU of 1sir by Molmil](/molmil-images/mine/1sir) | The Crystal Structure and Mechanism of Human Glutaryl-CoA Dehydrogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Glutaryl-CoA dehydrogenase, S-4-NITROBUTYRYL-COA | Authors: | Wang, M, Fu, Z, Paschke, R, Goodman, S.L, Frerman, F.E, Kim, J.J. | Deposit date: | 2004-03-01 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of Human Glutaryl-CoA Dehydrogenase with and without an Alternate Substrate: Structural Bases of Dehydrogenation and Decarboxylation Reactions Biochemistry, 43, 2004
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7T9F
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![BU of 7t9f by Molmil](/molmil-images/mine/7t9f) | Structure of VcINDY-apo | Descriptor: | DASS family sodium-coupled anion symporter | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | Deposit date: | 2021-12-19 | Release date: | 2022-05-25 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY. Nat Commun, 13, 2022
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7T9G
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![BU of 7t9g by Molmil](/molmil-images/mine/7t9g) | Structure of VcINDY-Na+ | Descriptor: | DASS family sodium-coupled anion symporter, SODIUM ION | Authors: | Sauer, D.B, Marden, J.J, Song, J.M, Wang, D.N. | Deposit date: | 2021-12-19 | Release date: | 2022-05-25 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structural basis of ion - substrate coupling in the Na + -dependent dicarboxylate transporter VcINDY. Nat Commun, 13, 2022
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7NWF
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![BU of 7nwf by Molmil](/molmil-images/mine/7nwf) | Crystal structure of Bacteroides thetaiotamicron EndoBT-3987 in complex with hybrid-type glycan (GalGlcNAcMan5GlcNAc) product | Descriptor: | Endo-beta-N-acetylglucosaminidase F1, GLYCEROL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Trastoy, B, Du, J.J, Garcia-Alija, M, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2021-03-16 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | GH18 endo-beta-N-acetylglucosaminidases use distinct mechanisms to process hybrid-type N-linked glycans. J.Biol.Chem., 297, 2021
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