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4LK5
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Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10
分子名称: enoyl-CoA hydratase
著者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)
登録日2013-07-06
公開日2013-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of a enoyl-CoA hydratase from Mycobacterium avium subsp. paratuberculosis K-10
To be Published
4M1A
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BU of 4m1a by Molmil
Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386
分子名称: Hypothetical protein
著者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)
登録日2013-08-02
公開日2013-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386
To be Published
1XHA
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BU of 1xha by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: 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, ...
著者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.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH8
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者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.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
5IS4
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BU of 5is4 by Molmil
Endothiapepsin in complex with chiral brominated primary amine fragment
分子名称: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-03-15
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.368 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
1XH6
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BU of 1xh6 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者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.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
4LKB
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BU of 4lkb by Molmil
Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
分子名称: GLYCEROL, SULFATE ION, hypothetical protein alr4568/putative 4-Oxalocrotonate Tautomerase
著者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)
登録日2013-07-07
公開日2013-07-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120
To be Published
4Y37
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BU of 4y37 by Molmil
Endothiapepsin in complex with fragement 305
分子名称: 4-chloro-2-methylthieno[2,3-d][1,2,3]diazaborinin-1(2H)-ol, ACETATE ION, Endothiapepsin, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5JDF
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BU of 5jdf by Molmil
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+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDQ
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BU of 5jdq by Molmil
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+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, PENTADECANE, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
4Y35
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BU of 4y35 by Molmil
Endothiapepsin in complex with fragment 290
分子名称: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8BMT
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BU of 8bmt by Molmil
Structure of GroEL:GroES-ATP complex plunge frozen 200 ms after reaction initiation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ...
著者Dhurandhar, M, Efremov, R, Torino, S.
登録日2022-11-10
公開日2023-08-09
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Time-resolved cryo-EM using a combination of droplet microfluidics with on-demand jetting.
Nat.Methods, 20, 2023
4Y3A
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BU of 4y3a by Molmil
Endothiapepsin in complex with fragment 181
分子名称: 1,2-ETHANEDIOL, 6-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-N,N-dimethyl-1,3,5-triazine-2,4-diamine, ACETATE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Crystallographic Fragment Sreening of an Entire Library
To Be Published
1VQB
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BU of 1vqb by Molmil
GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN)
分子名称: GENE V PROTEIN
著者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.
登録日1996-08-14
公開日1997-02-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
1W5G
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BU of 1w5g by Molmil
An anti-parallel four helix bundle (acetimide modification).
分子名称: GENERAL CONTROL PROTEIN GCN4
著者Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R.
登録日2004-08-06
公開日2004-09-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides
Biochemistry, 44, 2005
2YB1
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BU of 2yb1 by Molmil
Structure of an amidohydrolase from Chromobacterium violaceum (EFI target EFI-500202) with bound Mn, AMP and phosphate.
分子名称: ADENOSINE MONOPHOSPHATE, AMIDOHYDROLASE, MANGANESE (II) ION, ...
著者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.
登録日2011-02-25
公開日2011-03-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Prospecting for Unannotated Enzymes: Discovery of a 3',5'-Nucleotide Bisphosphate Phosphatase within the Amidohydrolase Superfamily.
Biochemistry, 53, 2014
8I5G
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BU of 8i5g by Molmil
Structure of human Nav1.7 in complex with PF-05089771
分子名称: (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, ...
著者Wu, Q.R, Yan, N.
登録日2023-01-25
公開日2023-06-14
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
5EQR
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BU of 5eqr by Molmil
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir
分子名称: (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, ...
著者Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A.
登録日2015-11-13
公開日2016-11-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.
J.Am.Chem.Soc., 138, 2016
2OC3
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BU of 2oc3 by Molmil
Crystal Structure of the Catalytic Domain of Human Protein Tyrosine Phosphatase non-receptor Type 18
分子名称: Tyrosine-protein phosphatase non-receptor type 18
著者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)
登録日2006-12-20
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
5JDH
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BU of 5jdh by Molmil
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+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CALCIUM ION, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-16
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
5JDN
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BU of 5jdn by Molmil
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+
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTADECANE, PENTAETHYLENE GLYCOL, ...
著者Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D.
登録日2016-04-17
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger.
Nat.Struct.Mol.Biol., 23, 2016
1XH7
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BU of 1xh7 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者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.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XQI
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BU of 1xqi by Molmil
Crystal Structure Analysis of an NDP kinase from Pyrobaculum aerophilum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nucleoside diphosphate kinase, TRIETHYLENE GLYCOL
著者Pedelacq, J.D, Waldo, G.S, Cabantous, S, Liong, E.C, Berendzen, J, Terwilliger, T.C.
登録日2004-10-12
公開日2005-09-20
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional features of an NDP kinase from the hyperthermophile crenarchaeon Pyrobaculum aerophilum
Protein Sci., 14, 2005
1ZHN
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BU of 1zhn by Molmil
Crystal Structure of mouse CD1d bound to the self ligand phosphatidylcholine
分子名称: 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, ...
著者Giabbai, B, Sidobre, S, Crispin, M.M.D, Sanchez Ruiz, Y, Bachi, A, Kronenberg, M, Wilson, I.A, Degano, M.
登録日2005-04-26
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of mouse CD1d bound to the self ligand phosphatidylcholine: a molecular basis for NKT cell activation
J.Immunol., 175, 2005
2OV2
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BU of 2ov2 by Molmil
The crystal structure of the human RAC3 in complex with the CRIB domain of human p21-activated kinase 4 (PAK4)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者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)
登録日2007-02-12
公開日2007-03-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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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