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4U2W
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BU of 4u2w by Molmil
Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
分子名称: 1,2-ETHANEDIOL, Bowman-Birk trypsin inhibitor, CALCIUM ION, ...
著者Grudnik, P, Golik, P, Malicki, S, Debowski, D, Legowska, A, Rolka, K, Dubin, G.
登録日2014-07-18
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin.
Proteins, 83, 2015
4U35
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BU of 4u35 by Molmil
Crystal Structures of RNA Duplexes Containing 2-thio-Uridine
分子名称: RNA (5'-R(*GP*GP*UP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*(SUR)P*CP*C-3')
著者Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W.
登録日2014-07-18
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs.
J.Am.Chem.Soc., 136, 2014
4U37
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BU of 4u37 by Molmil
Native 7mer-RNA duplex
分子名称: RNA (5'-R(*GP*GP*AP*GP*CP*UP*A)-3'), RNA (5'-R(*UP*AP*GP*CP*UP*CP*C)-3')
著者Sheng, J, Larsen, A, Heuberger, B, Blain, J.C, Szostak, J.W.
登録日2014-07-18
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure Studies of RNA Duplexes Containing s(2)U:A and s(2)U:U Base Pairs.
J.Am.Chem.Soc., 136, 2014
2B68
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BU of 2b68 by Molmil
Solution structure of the recombinant Crassostrea gigas defensin
分子名称: defensin
著者Gueguen, Y, Amaury, H, Aumelas, A, Garnier, J, Fievet, J, Escoubas, J.M, Bulet, P, Gonzales, M, Lelong, C, Favrel, P, Bachere, E.
登録日2005-09-30
公開日2005-11-29
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Characterization of a Defensin from the Oyster Crassostrea gigas: recombinant production, folding, solution structure, antimicrobial activities and gene expression
J.Biol.Chem., 281, 2006
4U6C
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BU of 4u6c by Molmil
HsMetAP in complex with [(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4UQA
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BU of 4uqa by Molmil
X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum
分子名称: CARBOHYDRATE BINDING FAMILY 6, HISTIDINE
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 (1.52 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
4UPU
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BU of 4upu by Molmil
Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin
分子名称: CALCIUM ION, CALMODULIN, GLYCEROL, ...
著者Franco-Echevarria, E, Banos-Sanz, J.I, Monterroso, B, Round, A, Sanz-Aparicio, J, Gonzalez, B.
登録日2014-06-18
公開日2014-08-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation.
Biochem.J., 463, 2014
2BBH
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BU of 2bbh by Molmil
X-ray structure of T.maritima CorA soluble domain
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, MAGNESIUM ION, SODIUM ION, ...
著者Lunin, V.V, Dobrovetsky, E, Khutoreskaya, G, Bochkarev, A, Maguire, M.E, Edwards, A.M, Koth, C.M, Structural Genomics Consortium (SGC)
登録日2005-10-17
公開日2005-12-13
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of the CorA Mg2+ transporter.
Nature, 440, 2006
4KSD
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BU of 4ksd by Molmil
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain
分子名称: Multidrug resistance protein 1A, R2 protein
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2019-07-17
実験手法X-RAY DIFFRACTION (4.1001 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
3L4H
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BU of 3l4h by Molmil
Helical box domain and second WW domain of the human E3 ubiquitin-protein ligase HECW1
分子名称: ACETIC ACID, E3 ubiquitin-protein ligase HECW1
著者Walker, J.R, Qiu, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Botchkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-12-20
公開日2010-05-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The tandem helical box and second WW domains of human HECW1
To be Published
4U69
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BU of 4u69 by Molmil
HsMetAP complex with (1-amino-2-methylpentyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-28
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U70
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BU of 4u70 by Molmil
HsMetAP (F309M) in complex with (1-amino-2-cyclohexylethyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4U76
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BU of 4u76 by Molmil
HsMetAP (F309M) holo form
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4BLC
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BU of 4blc by Molmil
THE STRUCTURE OF ORTHORHOMBIC CRYSTALS OF BEEF LIVER CATALASE
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (CATALASE), PROTOPORPHYRIN IX CONTAINING FE
著者Ko, T.P, Day, J, Malkin, A, McPherson, A.
登録日1998-09-27
公開日1998-10-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of orthorhombic crystals of beef liver catalase.
Acta Crystallogr.,Sect.D, 55, 1999
4UE7
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BU of 4ue7 by Molmil
Thrombin in complex with 1-amidinopiperidine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2014-12-16
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.129 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
4UE4
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BU of 4ue4 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
分子名称: 6S RNA, FTSQ SIGNAL SEQUENCE, SIGNAL RECOGNITION PARTICLE 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 (7 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
4UFF
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BU of 4uff by Molmil
Thrombin in complex with (2R)-2-(benzylsulfonylamino)-N-(2-((4- carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl- propanamide
分子名称: (2R)-2-(benzylsulfonylamino)-N-(2-((4-carbamimidoylphenyl)methylamino)-2-oxo-ethyl)-N-methyl-3-phenyl-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 (1.55 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
4UEH
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BU of 4ueh by Molmil
Thrombin in complex with benzamidine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, GLYCEROL, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2014-12-17
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
2ZO5
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BU of 2zo5 by Molmil
Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with azide
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ...
著者Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
登録日2008-05-05
公開日2009-05-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens
J.Mol.Biol., 389, 2009
4UFT
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BU of 4uft by Molmil
Structure of the helical Measles virus nucleocapsid
分子名称: 5'-R(*CP*CP*CP*CP*CP*CP)-3', NUCLEOPROTEIN
著者Gutsche, I, Desfosses, A, Effantin, G, Ling, W.L, Haupt, M, Ruigrok, R.W.H, Sachse, C, Schoehn, G.
登録日2015-03-19
公開日2015-04-29
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Near-Atomic Cryo-Em Structure of the Helical Measles Virus Nucleocapsid.
Science, 348, 2015
3L24
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BU of 3l24 by Molmil
Crystal Structure of the Nerve Agent Degrading Organophosphate Anhydrolase/Prolidase in Complex with Inhibitors
分子名称: GLYCOLIC ACID, MANGANESE (II) ION, Xaa-Pro dipeptidase
著者Vyas, N.K, Nichitenko, A, Rastogi, V.K, Shah, S.S, Quiocho, F.A.
登録日2009-12-14
公開日2010-01-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural insights into the dual activities of the nerve agent degrading organophosphate anhydrolase/prolidase.
Biochemistry, 49, 2010
4UD0
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BU of 4ud0 by Molmil
X-ray structure and activities of an essential Mononegavirales L- protein domain
分子名称: RNA-DIRECTED RNA POLYMERASE L, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE 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2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献X-Ray Structure and Activities of an Essential Mononegavirales L-Protein Domain.
Nat.Commun., 6, 2015
4U73
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HsMetAP(F309M) IN COMPLEX WITH (amino(phenyl)methyl)phosphonic acid
分子名称: COBALT (II) ION, Methionine aminopeptidase 1, POTASSIUM ION, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-30
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
4AUT
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BU of 4aut by Molmil
Crystal structure of the tuberculosis drug target Decaprenyl- Phosphoryl-beta-D-Ribofuranose-2-oxidoreductase (DprE1) from Mycobacterium smegmatis
分子名称: DECAPRENYL-PHOSPHORYL-BETA-D-RIBOFURANOSE-2-OXIDOREDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE
著者Neres, J, Pojer, F, Molteni, E, Chiarelli, L.R, Dhar, N, Boy-Rottger, S, Buroni, S, Fullam, E, Degiacomi, G, Lucarelli, A, Read, R.J, Zanoni, G, Edmondson, D.E, De Rossi, E, Pasca, M, Riccardi, G, Mattevi, A, Dyson, P.J, Cole, S.T, Binda, C.
登録日2012-05-21
公開日2012-09-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Benzothiazinone-Mediated Killing of Mycobacterium Tuberculosis.
Sci. Transl. Med., 4, 2012
4KSC
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BU of 4ksc by Molmil
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 (4 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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