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2I6S
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BU of 2i6s by Molmil
Complement component C2a
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, Complement C2a fragment, ...
著者Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P.
登録日2006-08-29
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
4IWT
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BU of 4iwt by Molmil
Crystal structure of the C-teminal choline-binding domain of the Streptococcus pneumoniae prophage LytA
分子名称: CHOLINE ION, Lytic amidase
著者Sandalova, T, Mellroth, P, Achour, A.
登録日2013-01-24
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
MBio, 5, 2014
3T8C
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BU of 3t8c by Molmil
Thermolysin In Complex With UBTLN30
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Biela, A, Heine, A, Klebe, G.
登録日2011-08-01
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Thermolysin Inhibition
To be Published
6P3V
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BU of 6p3v by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416
分子名称: DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ...
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 (2.5 Å)
主引用文献Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
6YCZ
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BU of 6ycz by Molmil
Plasmodium falciparum Myosin A delta-Nter, Post-Rigor state
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Moussaoui, D, Robblee, J.P, Auguin, D, Krementsova, E.B, Robert-Paganin, J, Trybus, K.M, Houdusse, A.
登録日2020-03-19
公開日2020-11-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Full-length Plasmodium falciparum myosin A and essential light chain PfELC structures provide new anti-malarial targets.
Elife, 9, 2020
6P4U
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The structure of condensation and adenylation domains of teixobactin-producing nonribosomal peptide synthetase Txo1 serine module in complex with Mg and AMP
分子名称: ACETATE ION, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
著者Tan, K, Zhou, M, Jedrzejczak, R, Babnigg, G, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-05-28
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of teixobactin-producing nonribosomal peptide synthetase condensation and adenylation domains.
Curr Res Struct Biol, 2, 2020
6FA4
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BU of 6fa4 by Molmil
Antibody derived (Abd-7) small molecule binding to KRAS.
分子名称: 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-~{N}-[4-[(dimethylamino)methyl]phenyl]-2-methoxy-pyridin-3-amine, GTPase KRas, MAGNESIUM ION, ...
著者Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H.
登録日2017-12-15
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
2IBD
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BU of 2ibd by Molmil
Crystal structure of Probable transcriptional regulatory protein RHA5900
分子名称: MAGNESIUM ION, Possible transcriptional regulator
著者Chang, C, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-09-11
公開日2006-10-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of Probable transcriptional regulatory protein RHA5900
To be Published
2BIL
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BU of 2bil by Molmil
The human protein kinase Pim1 in complex with its consensus peptide Pimtide
分子名称: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
登録日2005-01-22
公開日2005-02-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide
To be Published
6P2L
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BU of 6p2l by Molmil
Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme
分子名称: CHLORIDE ION, Glycosyl hydrolase BNR repeat-containing protein, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Stogios, P.J, Skarina, T, Arnal, G, Brumer, H, Savchenko, A.
登録日2019-05-21
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
6P3I
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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
6F2P
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BU of 6f2p by Molmil
Structure of Paenibacillus xanthan lyase to 2.6 A resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Lo Leggio, L, Kadziola, A.
登録日2017-11-27
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and Dynamics of a Promiscuous Xanthan Lyase from Paenibacillus nanensis and the Design of Variants with Increased Stability and Activity.
Cell Chem Biol, 26, 2019
3FBX
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BU of 3fbx by Molmil
Crystal structure of the lysosomal 66.3 kDa protein from mouse solved by S-SAD
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, ACETATE ION, ...
著者Lakomek, K, Dickmanns, A, Mueller, U, Ficner, R.
登録日2008-11-20
公開日2009-03-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse
Acta Crystallogr.,Sect.D, 65, 2009
6PAB
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BU of 6pab by Molmil
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
6P55
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BU of 6p55 by Molmil
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
4IVV
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BU of 4ivv by Molmil
Catalytic amidase domain of the major autolysin LytA from Streptococcus pneumaniae
分子名称: 1,2-ETHANEDIOL, Autolysin, ZINC ION
著者Sandalova, T, Achour, A.
登録日2013-01-23
公開日2014-01-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae.
MBio, 5, 2014
5G1C
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BU of 5g1c by Molmil
Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395
分子名称: (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
著者Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
登録日2016-03-24
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
2CLP
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BU of 2clp by Molmil
Crystal structure of human aflatoxin B1 aldehyde reductase member 3
分子名称: AFLATOXIN B1 ALDEHYDE REDUCTASE MEMBER 3, CALCIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Debreczeni, J.E, Marsden, B.D, Johansson, C, Kavanagh, K, Guo, K, Smee, C, Gileadi, O, Turnbull, A, Papagrigoriou, E, von Delft, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, Oppermann, U.
登録日2006-04-28
公開日2006-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3
To be Published
2I6Q
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BU of 2i6q by Molmil
Complement component C2a
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C2a fragment, ...
著者Milder, F.J, Raaijmakers, H.C.A, Vandeputte, D.A.A, Schouten, A, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P.
登録日2006-08-29
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of complement component c2a: implications for convertase formation and substrate binding.
Structure, 14, 2006
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
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
4IWQ
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BU of 4iwq by Molmil
Crystal structure and mechanism of activation of TBK1
分子名称: N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase TBK1
著者Panne, D, Larabi, A.
登録日2013-01-24
公開日2013-03-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure and mechanism of activation of TANK-binding kinase 1.
Cell Rep, 3, 2013
6EZX
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CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide
分子名称: (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1
著者Banner, D.W, Benz, J, Kuglstatter, A.
登録日2017-11-16
公開日2018-04-11
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61, 2018
2CE6
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Structure of Helix Pomatia agglutinin with no ligands
分子名称: HELIX POMATIA AGGLUTININ
著者Sanchez, J.-F, Lescar, J, Chazalet, V, Audfray, A, Gautier, C, Gagnon, J, Breton, C, Imberty, A, Mitchell, E.P.
登録日2006-02-03
公開日2006-05-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Biochemical and Structural Analysis of Helix Pomatia Agglutinin. A Hexameric Lectin with a Novel Fold.
J.Biol.Chem., 281, 2006
6PA6
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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

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