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4UQD
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BU of 4uqd by Molmil
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
4U89
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BU of 4u89 by Molmil
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
4UFD
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BU of 4ufd by Molmil
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
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
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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BU of 4ucy 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2014-12-05
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
4UHV
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BU of 4uhv by Molmil
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
4UJD
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BU of 4ujd by Molmil
mammalian 80S HCV-IRES initiation complex with eIF5B PRE-like state
分子名称: 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN ES1, ...
著者Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T.
登録日2014-06-18
公開日2014-07-30
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (8.9 Å)
主引用文献Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires
Nat.Struct.Mol.Biol., 21, 2014
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
4UDW
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BU of 4udw by Molmil
Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide, GLYCEROL, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2014-12-12
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why.
J.Med.Chem., 58, 2015
4UE5
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BU of 4ue5 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
分子名称: 7S RNA, SIGNAL RECOGNITION PARTICLE 54 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, ...
著者Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R.
登録日2014-12-15
公開日2015-09-09
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
4UFE
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BU of 4ufe by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-butyl)-3-phenyl-propanamide
分子名称: (2R)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
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 (1.593 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
4UPD
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BU of 4upd by Molmil
Open conformation of O. piceae sterol esterase mutant I544W
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, STEROL ESTERASE, TRIETHYLENE GLYCOL, ...
著者Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A.
登録日2014-06-16
公開日2014-09-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release.
J.Struct.Biol., 187, 2014
4UD2
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BU of 4ud2 by Molmil
Structure of 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2014-12-05
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 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
4UIE
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BU of 4uie by Molmil
Crystal structure of the S-layer protein SbsC, domains 7, 8 and 9
分子名称: CALCIUM ION, OSMIUM ION, SURFACE LAYER PROTEIN
著者Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of the S-Layer Protein Sbsc
To be Published
4ULW
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BU of 4ulw by Molmil
Crystal structure of the ROQ-domain of human ROQUIN1
分子名称: ROQUIN-1
著者Schuetz, A, Heinemann, U.
登録日2014-05-14
公開日2015-01-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Roquin Binding to Target Mrnas Involves a Winged Helix-Turn- Helix Motif.
Nat.Commun., 5, 2014
4ULL
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BU of 4ull by Molmil
SOLUTION NMR STRUCTURE OF VEROTOXIN-1 B-SUBUNIT FROM E. COLI, 5 STRUCTURES
分子名称: Shiga toxin 1B
著者Richardson, J.M, Evans, P.D, Homans, S.W, Donohue-Rolfe, A.
登録日1996-12-17
公開日1997-04-01
最終更新日2019-12-11
実験手法SOLUTION NMR
主引用文献Solution structure of the carbohydrate-binding B-subunit homopentamer of verotoxin VT-1 from E. coli.
Nat.Struct.Biol., 4, 1997
4UM3
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BU of 4um3 by Molmil
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
4UEG
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BU of 4ueg by Molmil
Crystal structure of human glycogenin-2 catalytic domain
分子名称: GLYCOGENIN-2, MAGNESIUM ION
著者Fairhead, M, Strain-Damerell, C, Krojer, T, Froese, D.S, Kopec, J, Nowak, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2014-12-17
公開日2014-12-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure of Human Glycogenin-2 Catalytic Domain
To be Published
4UHP
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BU of 4uhp by Molmil
Crystal structure of the pyocin AP41 DNase-Immunity complex
分子名称: BACTERIOCIN IMMUNITY PROTEIN, LARGE COMPONENT OF PYOCIN AP41
著者Joshi, A, Chen, S, Wojdyla, J.A, Kaminska, R, Kleanthous, C.
登録日2015-03-25
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Ultra-High Affinity Protein-Protein Complexes of Pyocins S2 and Ap41 and Their Cognate Immunity Proteins from Pseudomonas Aeruginosa
J.Mol.Biol., 427, 2015
4UN3
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BU of 4un3 by Molmil
Crystal structure of Cas9 bound to PAM-containing DNA target
分子名称: CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ...
著者Anders, C, Niewoehner, O, Duerst, A, Jinek, M.
登録日2014-05-25
公開日2014-07-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
4UCJ
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BU of 4ucj 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 (3.26 Å)
主引用文献X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4UQB
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BU of 4uqb by Molmil
X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.68 A resolution
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CARBOHYDRATE BINDING FAMILY 6, SULFATE ION
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 (1.68 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

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