4LK5
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![BU of 4lk5 by Molmil](/molmil-images/mine/4lk5) | Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10 | Descriptor: | enoyl-CoA hydratase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-06 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10 To be Published
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4M1A
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![BU of 4m1a by Molmil](/molmil-images/mine/4m1a) | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | Descriptor: | Hypothetical protein | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-02 | Release date: | 2013-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386 To be Published
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1XHA
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![BU of 1xha by Molmil](/molmil-images/mine/1xha) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XH8
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![BU of 1xh8 by Molmil](/molmil-images/mine/1xh8) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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5IS4
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![BU of 5is4 by Molmil](/molmil-images/mine/5is4) | |
1XH6
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![BU of 1xh6 by Molmil](/molmil-images/mine/1xh6) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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4LKB
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![BU of 4lkb by Molmil](/molmil-images/mine/4lkb) | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 | Descriptor: | GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-07-07 | Release date: | 2013-07-24 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 To be Published
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4Y37
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![BU of 4y37 by Molmil](/molmil-images/mine/4y37) | Endothiapepsin in complex with fragement 305 | Descriptor: | 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ... | Authors: | Krimmer, S.G, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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5JDF
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![BU of 5jdf by Molmil](/molmil-images/mine/5jdf) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 1mM Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-04-16 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger. Nat.Struct.Mol.Biol., 23, 2016
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5JDQ
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![BU of 5jdq by Molmil](/molmil-images/mine/5jdq) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 100 mM Na+ and 10mM Sr2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-04-17 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger. Nat.Struct.Mol.Biol., 23, 2016
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4Y35
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![BU of 4y35 by Molmil](/molmil-images/mine/4y35) | |
8BMT
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![BU of 8bmt by Molmil](/molmil-images/mine/8bmt) | Structure of GroEL:GroES-ATP complex plunge frozen 200 ms after reaction initiation | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ... | Authors: | Dhurandhar, M, Efremov, R, Torino, S. | Deposit date: | 2022-11-10 | Release date: | 2023-08-09 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting. Nat.Methods, 20, 2023
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4Y3A
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![BU of 4y3a by Molmil](/molmil-images/mine/4y3a) | Endothiapepsin in complex with fragment 181 | Descriptor: | 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Crystallographic Fragment Sreening of an Entire Library To Be Published
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1VQB
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![BU of 1vqb by Molmil](/molmil-images/mine/1vqb) | GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN) | Descriptor: | GENE V PROTEIN | Authors: | Skinner, M.M, Zhang, H, Leschnitzer, D.H, Guan, Y, Bellamy, H, Sweet, R.M, Gray, C.W, Konings, R.N.H, Wang, A.H.-J, Terwilliger, T.C. | Deposit date: | 1996-08-14 | Release date: | 1997-02-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the gene V protein of bacteriophage f1 determined by multiwavelength x-ray diffraction on the selenomethionyl protein. Proc.Natl.Acad.Sci.USA, 91, 1994
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2YB1
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![BU of 2yb1 by Molmil](/molmil-images/mine/2yb1) | Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate. | Descriptor: | ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ... | Authors: | Vetting, M.W, Hillerich, B, Foti, R, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Raushel, F.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2011-02-25 | Release date: | 2011-03-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily. Biochemistry, 53, 2014
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1W5G
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![BU of 1w5g by Molmil](/molmil-images/mine/1w5g) | |
8I5G
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![BU of 8i5g by Molmil](/molmil-images/mine/8i5g) | Structure of human Nav1.7 in complex with PF-05089771 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Wu, Q.R, Yan, N. | Deposit date: | 2023-01-25 | Release date: | 2023-06-14 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mapping of Na v 1.7 antagonists. Nat Commun, 14, 2023
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5EQR
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![BU of 5eqr by Molmil](/molmil-images/mine/5eqr) | Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir | Descriptor: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, SULFATE ION, ... | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. | Deposit date: | 2015-11-13 | Release date: | 2016-11-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
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2OC3
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![BU of 2oc3 by Molmil](/molmil-images/mine/2oc3) | Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 18 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 18 | Authors: | Ugochukwu, E, Barr, A, Alfano, I, Gorrec, F, Umeano, C, Savitsky, P, Sobott, F, Eswaran, J, Papagrigoriou, E, Debreczeni, J.E, Turnbull, A, Bunkoczi, G, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-20 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
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5JDH
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![BU of 5jdh by Molmil](/molmil-images/mine/5jdh) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Ca2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CALCIUM ION, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-04-16 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger. Nat.Struct.Mol.Biol., 23, 2016
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5JDN
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![BU of 5jdn by Molmil](/molmil-images/mine/5jdn) | Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 10 mM Na+ and 10mM Sr2+ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ... | Authors: | Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. | Deposit date: | 2016-04-17 | Release date: | 2016-05-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger. Nat.Struct.Mol.Biol., 23, 2016
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1XH7
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![BU of 1xh7 by Molmil](/molmil-images/mine/1xh7) | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | Descriptor: | N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | Deposit date: | 2004-09-17 | Release date: | 2005-09-17 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
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1XQI
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![BU of 1xqi by Molmil](/molmil-images/mine/1xqi) | Crystal Structure Analysis of an NDP kinase from Pyrobaculum aerophilum | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside diphosphate kinase, TRIETHYLENE GLYCOL | Authors: | Pedelacq, J.D, Waldo, G.S, Cabantous, S, Liong, E.C, Berendzen, J, Terwilliger, T.C. | Deposit date: | 2004-10-12 | Release date: | 2005-09-20 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional features of an NDP kinase from the hyperthermophile crenarchaeon Pyrobaculum aerophilum Protein Sci., 14, 2005
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1ZHN
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![BU of 1zhn by Molmil](/molmil-images/mine/1zhn) | Crystal Structure of mouse CD1d bound to the self ligand phosphatidylcholine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE, CD1d1 antigen, ... | Authors: | Giabbai, B, Sidobre, S, Crispin, M.M.D, Sanchez Ruiz, Y, Bachi, A, Kronenberg, M, Wilson, I.A, Degano, M. | Deposit date: | 2005-04-26 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of mouse CD1d bound to the self ligand phosphatidylcholine: a molecular basis for NKT cell activation J.Immunol., 175, 2005
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2OV2
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![BU of 2ov2 by Molmil](/molmil-images/mine/2ov2) | The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Ugochukwu, E, Yang, X, Elkins, J.M, Burgess-Brown, N, Bunkoczi, G, Debreczeni, J.E.D, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-12 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4) To be Published
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