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4UAN
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BU of 4uan by Molmil
Structure of the Ssl1 laccase mutant H99Q with depleted type-2 copper ion
分子名称: COPPER (II) ION, Copper oxidase, GLYCEROL
著者Gunne, M, Hoeppner, A, Jaeger, V.D, Urlacher, V.B.
登録日2014-08-11
公開日2015-08-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the Ssl1 laccase mutant H99Q with depleted type-2 copper ion
To Be Published
4TYF
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BU of 4tyf by Molmil
Structure of a Metallo-beta-lactamase
分子名称: NDM-4, ZINC ION
著者Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J.
登録日2014-07-08
公開日2015-07-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of a Metallo-beta-lactamase
To Be Published
4U38
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BU of 4u38 by Molmil
RNA duplex containing UU mispair
分子名称: RNA (5'-R(*GP*GP*UP*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 (1.8 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
4TZT
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BU of 4tzt by Molmil
CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE
分子名称: (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R.
登録日2014-07-10
公開日2014-08-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis
J. Med. Chem., 2006
4U1B
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BU of 4u1b by Molmil
HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid
分子名称: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-15
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.89 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
4U6J
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BU of 4u6j by Molmil
HsMetAP in complex with methionine
分子名称: COBALT (II) ION, GLYCEROL, METHIONINE, ...
著者Arya, T, Addlagatta, A.
登録日2014-07-29
公開日2015-03-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.56 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
4UD9
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BU of 4ud9 by Molmil
Thrombin in complex with 5-chlorothiophene-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-CHLORO-2-THIOPHENECARBOXAMIDE, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2014-12-09
公開日2015-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.124 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
4UF7
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BU of 4uf7 by Molmil
Ghanaian henipavirus (Gh-M74a) attachment glycoprotein in complex with human ephrinB2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ...
著者Lee, B, Pernet, O, Ahmed, A.A, Zeltina, A, Beaty, S.M, Bowden, T.A.
登録日2015-03-13
公開日2015-04-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular Recognition of Human Ephrinb2 Cell Surface Receptor by an Emergent African Henipavirus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
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
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
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
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
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
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
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
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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BU of 4u73 by Molmil
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
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

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