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6P3I
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BU of 6p3i by Molmil
The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, SULFATE ION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-23
公開日2019-06-05
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
1NJO
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The crystal structure of the 50S Large ribosomal subunit from Deinococcus radiodurans complexed with a short substrate analog ACCPuromycin (ACCP)
分子名称: 23S ribosomal RNA, RNA ACC(Puromycin)
著者Bashan, A, Agmon, I, Zarivatch, R, Schluenzen, F, Harms, J.M, Berisio, R, Bartels, H, Hansen, H.A, Yonath, A.
登録日2003-01-02
公開日2003-02-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural basis of the ribosomal machinery for Peptide bond formation, translocation, and nascent chain progression
Mol.Cell, 11, 2003
6P55
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Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by cefixime
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, cefixime, ...
著者Singh, A, Davies, C.
登録日2019-05-29
公開日2019-08-07
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
1N76
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CRYSTAL STRUCTURE OF HUMAN SEMINAL LACTOFERRIN AT 3.4 A RESOLUTION
分子名称: CARBONATE ION, FE (III) ION, LACTOFERRIN, ...
著者Kumar, J, Weber, W, Munchau, S, Yadav, S, Singh, S.B, Sarvanan, K, Paramsivam, M, Sharma, S, Kaur, P, Bhushan, A, Srinivasan, A, Betzel, C, Singh, T.P.
登録日2002-11-12
公開日2003-02-18
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal Structure of human seminal lactoferrin at 3.4A resolution
Indian J.Biochem.Biophys., 40, 2003
6PAB
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E. coli L-asparaginase II in complex with L-Asp at pH 7.0
分子名称: ASPARTIC ACID, CITRIC ACID, IMIDAZOLE, ...
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
2RU5
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BU of 2ru5 by Molmil
Designed Armadillo Repeat Protein Fragment (MAII)
分子名称: Armadillo repeat protein C-terminal fragment
著者Zerbe, O, Christen, M.T, Plueckthun, A, Watson, R.P.
登録日2013-11-23
公開日2014-07-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Spontaneous self-assembly of engineered armadillo repeat protein fragments into a folded structure
Structure, 22, 2014
4XWH
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BU of 4xwh by Molmil
Crystal structure of the human N-acetyl-alpha-glucosaminidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylglucosaminidase, ...
著者Birrane, G, Meiyappan, M, Dassier, A.
登録日2015-01-28
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural characterization of the alpha-N-acetylglucosaminidase, a key enzyme in the pathogenesis of Sanfilippo syndrome B.
J.Struct.Biol., 205, 2019
6EX5
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Staphylococcus aureus triple mutant of superoxide dismutase SodM
分子名称: MANGANESE (II) ION, Superoxide dismutase
著者Barwinska-Sendra, A, Basle, A, Waldron, K.
登録日2017-11-07
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An evolutionary path to altered cofactor specificity in a metalloenzyme
Nat Commun, 2020
1BXY
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BU of 1bxy by Molmil
CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L30 FROM THERMUS THERMOPHILUS AT 1.9 A RESOLUTION: CONFORMATIONAL FLEXIBILITY OF THE MOLECULE.
分子名称: PROTEIN (RIBOSOMAL PROTEIN L30)
著者Fedorov, R, Nevskaya, N, Khairullina, A, Tishchenko, S, Mikhailov, A, Garber, M, Nikonov, S.
登録日1998-10-09
公開日1998-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of ribosomal protein L30 from Thermus thermophilus at 1.9 A resolution: conformational flexibility of the molecule.
Acta Crystallogr.,Sect.D, 55, 1999
4QFT
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BU of 4qft by Molmil
Structure of COP9 signalosome complex subunit 6
分子名称: COP9 signalosome complex subunit 6
著者Birol, M, Hoh, F, Dumas, C, Echalier, A.
登録日2014-05-21
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural and biochemical characterization of the Cop9 signalosome CSN5/CSN6 heterodimer.
PLoS ONE, 9, 2014
2ROX
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BU of 2rox by Molmil
TRANSTHYRETIN (ALSO CALLED PREALBUMIN) COMPLEX WITH THYROXINE (T4)
分子名称: 3,5,3',5'-TETRAIODO-L-THYRONINE, SULFATE ION, TRANSTHYRETIN
著者Wojtczak, A, Cody, V, Luft, J.R, Pangborn, W.
登録日1996-10-23
公開日1997-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of human transthyretin complexed with thyroxine at 2.0 A resolution and 3',5'-dinitro-N-acetyl-L-thyronine at 2.2 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
6PJE
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BU of 6pje by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-43
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PA6
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BU of 6pa6 by Molmil
ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 in space group C2
分子名称: ASPARAGINE, IMIDAZOLE, L-asparaginase 2
著者Lubkowski, J, Wlodawer, A.
登録日2019-06-11
公開日2019-09-04
最終更新日2019-10-02
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Geometric considerations support the double-displacement catalytic mechanism of l-asparaginase.
Protein Sci., 28, 2019
5J5E
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BU of 5j5e by Molmil
crystal structure of antigen-ERAP1 domain complex
分子名称: Endoplasmic reticulum aminopeptidase 1
著者Sui, L, Gandhi, A, Guo, H.-C.
登録日2016-04-02
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a polypeptide's C-terminus in complex with the regulatory domain of ER aminopeptidase 1.
Mol.Immunol., 80, 2016
6PJO
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HIV-1 Protease NL4-3 WT in Complex with LR2-42
分子名称: Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-06-28
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
6PDN
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BU of 6pdn by Molmil
Human PIM1 bound to benzothiophene inhibitor 292
分子名称: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PIM1
To Be Published
5J4K
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Structure of humanised RadA-mutant humRadA22F in complex with 1-Indane-6-carboxylic acid
分子名称: 2,3-dihydro-1H-indene-2-carboxylic acid, CALCIUM ION, DNA repair and recombination protein RadA, ...
著者Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-04-01
公開日2016-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.346 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
2UUE
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BU of 2uue by Molmil
REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors
分子名称: 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ...
著者Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M.
登録日2007-03-02
公開日2007-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
6PDO
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Human PIM1 bound to benzothiophene inhibitor 354
分子名称: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PIM1
To Be Published
6P3U
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Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335
分子名称: 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2019-05-24
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
4M3B
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Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide, HTH-type transcriptional regulator EthR
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
1F9C
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CRYSTAL STRUCTURE OF MLE D178N VARIANT
分子名称: MANGANESE (II) ION, PROTEIN (MUCONATE CYCLOISOMERASE I)
著者Kajander, T, Lehtio, L, Kahn, P.C, Goldman, A.
登録日2000-07-10
公開日2001-03-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Buried charged surface in proteins.
Structure Fold.Des., 8, 2000
2UV6
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Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP
分子名称: 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE
著者Day, P, Sharff, A, Parra, L, Cleasby, A, Williams, M, Horer, S, Nar, H, Redemann, N, Tickle, I, Yon, J.
登録日2007-03-09
公開日2007-05-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
1NCU
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Titin Module M5, N-terminally Extended, NMR
分子名称: TITIN
著者Pfuhl, M, Pastore, A.
登録日1996-08-13
公開日1996-11-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献When a module is also a domain: the role of the N terminus in the stability and the dynamics of immunoglobulin domains from titin.
J.Mol.Biol., 265, 1997
4Y28
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The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
分子名称: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Mazor, Y, Brovikov, A, Nelson, N.
登録日2015-02-09
公開日2015-08-19
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structure of plant photosystem I super-complex at 2.8 angstrom resolution.
Elife, 4, 2015

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