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4U89
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4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
分子名称: COENZYME A, IMIDAZOLE, PHOSPHATE ION, ...
著者Faille, A, Mourey, L, Pedelacq, J.D.
登録日2014-08-01
公開日2015-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray structure of the 4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
to be published
4UQ9
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BU of 4uq9 by Molmil
X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.77 A resolution
分子名称: CARBOHYDRATE BINDING FAMILY 6
著者Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-06-22
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
4UQD
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X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.25 A resolution
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL, ...
著者Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S.
登録日2014-06-22
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
4UCL
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BU of 4ucl by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
分子名称: RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION
著者Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
登録日2014-12-03
公開日2015-11-18
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UCY
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X-ray structure and activities of an essential Mononegavirales L- protein domain
分子名称: RNA-DIRECTED RNA POLYMERASE L, SULFATE ION, ZINC ION
著者Paesen, G.C, Collet, A, Sallamand, C, Debart, F, Vasseur, J.J, Canard, B, Decroly, E, Grimes, J.M.
登録日2014-12-05
公開日2015-11-18
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
3T6X
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BU of 3t6x by Molmil
Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (20% dose)
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, COPPER (II) ION, ...
著者Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
登録日2011-07-29
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
2CA2
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BU of 2ca2 by Molmil
CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, THIOCYANATE ION, ...
著者Eriksson, A.E, Kylsten, P.M, Jones, T.A, Liljas, A.
登録日1989-02-06
公開日1990-01-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH.
Proteins, 4, 1988
4UHV
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The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System
分子名称: CHLORIDE ION, SODIUM ION, VGRG1, ...
著者Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A.
登録日2015-03-25
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System
Acta Crystallogr.,Sect.D, 72, 2016
4UJ6
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BU of 4uj6 by Molmil
Structure of surface layer protein SbsC, domains 1-6
分子名称: SURFACE LAYER PROTEIN
著者Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W.
登録日2015-04-08
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of Surface Layer Protein Sbsc, Domains 1-6
To be Published
4UFD
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Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)- 3-phenyl-propanoyl)pyrrolidin-2-yl)-1-oxo-ethyl)amino)methyl) benzamidine
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2015-03-16
公開日2016-01-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.429 Å)
主引用文献Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
4UFG
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BU of 4ufg by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-((1S)-2-((4- carbamimidoylphenyl)methylamino)-1-methyl-2-oxo-ethyl)-N-methyl-3- phenyl-propanamide ethane
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[methyl-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]amino]butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2015-03-17
公開日2016-01-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
Chemmedchem, 11, 2016
3SQQ
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BU of 3sqq by Molmil
CDK2 in complex with inhibitor RC-3-96
分子名称: 1,2-ETHANEDIOL, 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2
著者Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
登録日2011-07-06
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.
J.Med.Chem., 56, 2013
4UE2
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BU of 4ue2 by Molmil
Structure of air-treated anaerobically purified D. fructosovorans NiFe-hydrogenase
分子名称: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
著者Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C.
登録日2014-12-15
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献[Nife]-Hydrogenases Revisited: Nickel-Carboxamido Bond Formation in a Variant with Accrued O2-Tolerance and a Tentative Re-Interpretation of Ni-Si States.
Metallomics, 7, 2015
4GNY
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BU of 4gny by Molmil
Bovine beta-lactoglobulin complex with dodecyl sulfate
分子名称: Beta-lactoglobulin, DODECYL SULFATE, GLYCEROL
著者Gutierrez-Magdaleno, G, Torres-Rivera, A, Garcia-Hernandez, E, Rodriguez-Romero, A.
登録日2012-08-17
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6367 Å)
主引用文献Ligand-binding and self-association cooperativity of beta-lactoglobulin
J.Mol.Recognit., 26, 2013
4UEK
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BU of 4uek by Molmil
Galactitol-1-phosphate 5-dehydrogenase from E. coli with Tris within the active site.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GALACTITOL-1-PHOSPHATE 5-DEHYDROGENASE, ZINC ION
著者Benavente, R, Esteban-Torres, M, Kohring, G.W, Cortes-Cabrera, A, Gago, F, Acebron, I, de las Rivas, B, Munoz, R, Mancheno, J.M.
登録日2014-12-18
公開日2015-07-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli
Acta Crystallogr.,Sect.D, 71, 2015
3T5M
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BU of 3t5m by Molmil
Crystal structure of the S112A mutant of mycrocine immunity protein (MccF) with AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Microcin immunity protein MccF
著者Nocek, B, Zhou, M, Gu, M, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-27
公開日2011-09-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Structural and Functional Characterization of Microcin C Resistance Peptidase MccF from Bacillus anthracis.
J.Mol.Biol., 420, 2012
3T71
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Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (90% dose)
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, COPPER (II) ION, ...
著者Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
登録日2011-07-29
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
2L36
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BU of 2l36 by Molmil
Solution structure of MSI-594 derived mutant peptide MSI594F5A in Lipopolysaccharide Micelles
分子名称: MSI594
著者Bhunia, A, Bhattacharjya, S.
登録日2010-09-07
公開日2011-07-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure, interactions, and antibacterial activities of MSI-594 derived mutant peptide MSI-594F5A in lipopolysaccharide micelles: role of the helical hairpin conformation in outer-membrane permeabilization
J.Am.Chem.Soc., 132, 2010
7MDP
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BU of 7mdp by Molmil
KRas G12C in complex with G-2897
分子名称: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ...
著者Oh, A, Frank, Y, Wang, W.
登録日2021-04-05
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
1B3V
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BU of 1b3v by Molmil
XYLANASE FROM PENICILLIUM SIMPLICISSIMUM, COMPLEX WITH XYLOSE
分子名称: PROTEIN (XYLANASE), alpha-D-xylopyranose, beta-D-xylopyranose
著者Schmidt, A, Kratky, C.
登録日1998-12-15
公開日1999-04-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Xylan binding subsite mapping in the xylanase from Penicillium simplicissimum using xylooligosaccharides as cryo-protectant.
Biochemistry, 38, 1999
3C2U
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BU of 3c2u by Molmil
Structure of the two subsite D-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase/arabinosidase
著者Brunzelle, J.S, Jordan, D.B, McCaslin, D.R, Olczak, A, Wawrzak, A.
登録日2008-01-25
公開日2008-04-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the two-subsite beta-d-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane.
Arch.Biochem.Biophys., 474, 2008
2ZQO
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BU of 2zqo by Molmil
Crystal structure of the earthworm R-type lectin C-half in complex with GalNAc
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 29-kDa galactose-binding lectin, CADMIUM ION, ...
著者Suzuki, R, Kuno, A, Hasegawa, T, Hirabayashi, J, Kasai, K, Momma, M, Fujimoto, Z.
登録日2008-08-13
公開日2008-09-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sugar-complex structures of the C-half domain of the galactose-binding lectin EW29 from the earthworm Lumbricus terrestris
Acta Crystallogr.,Sect.D, 65, 2009
3TBJ
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BU of 3tbj by Molmil
The 1.7A crystal structure of Actibind a T2 ribonucleases as antitumorigenic agents
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Almog, O, Gonzalez, A.
登録日2011-08-07
公開日2012-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A crystal structure of ACTIBIND suggests a mode of action for T2 ribonucleases as antitumorigenic agents.
J.Med.Chem., 55, 2012
4KQP
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BU of 4kqp by Molmil
Crystal structure of Lactococcus lactis GlnP substrate binding domain 2 (SBD2) in complex with glutamine at 0.95 A resolution
分子名称: GLUTAMINE, Glutamine ABC transporter permease and substrate binding protein protein
著者Vujicic Zagar, A, Guskov, A, Schuurman-Wolters, G.K, Slotboom, D.J, Poolman, B.
登録日2013-05-15
公開日2013-09-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Functional Diversity of Tandem Substrate-Binding Domains in ABC Transporters from Pathogenic Bacteria.
Structure, 21, 2013
4KSB
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Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A
著者Ward, A, Szewczyk, P, Grimard, V, Lee, C.-W, Martinez, L, Doshi, R, Caya, A, Villaluz, M, Pardon, E, Cregger, C, Swartz, D.J, Falson, P, Urbatsch, I, Govaerts, C, Steyaert, J, Chang, G.
登録日2013-05-17
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.8001 Å)
主引用文献Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Proc.Natl.Acad.Sci.USA, 110, 2013

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