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PDB: 1222 件

3RN8
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BU of 3rn8 by Molmil
Crystal Structure of iGluR2 Ligand Binding Domain and Symmetrical Carboxyl Containing Potentiator
分子名称: 3,3'-benzene-1,4-diylbis(4-cyano-5-ethylthiophene-2-carboxylic acid), ACETATE ION, GLUTAMIC ACID, ...
著者Timm, D.E.
登録日2011-04-22
公開日2011-05-25
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation.
Mol.Pharmacol., 80, 2011
5CGO
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BU of 5cgo by Molmil
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13
分子名称: ACPC-13 derivative of Ala-Magainin 2, D-Ala-Magainin 2
著者Hayouka, Z, Thomas, N.C, Mortenson, D.E, Satyshur, K.A, Weisblum, B, Forest, K.T, Gellman, S.H.
登録日2015-07-09
公開日2015-09-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Quasiracemate Crystal Structures of Magainin 2 Derivatives Support the Functional Significance of the Phenylalanine Zipper Motif.
J.Am.Chem.Soc., 137, 2015
3SNF
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BU of 3snf by Molmil
Onconase, atomic resolution crystal structure
分子名称: ACETATE ION, Protein P-30, SULFATE ION
著者Holloway, D.E, Singh, U.P, Shogen, K, Acharya, K.R.
登録日2011-06-29
公開日2011-10-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Crystal structure of Onconase at 1.1 angstrom resolution--insights into substrate binding and collective motion.
Febs J., 278, 2011
5C17
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BU of 5c17 by Molmil
Crystal structure of the mercury-bound form of MerB2
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, MERCURY (II) ION, ...
著者Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
登録日2015-06-13
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
4ZSM
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BU of 4zsm by Molmil
BACE crystal structure with bicyclic aminothiazine fragment
分子名称: (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine, Beta-secretase 1, GLYCEROL
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
4ZSQ
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BU of 4zsq by Molmil
BACE crystal structure with tricyclic aminothiazine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide
著者Timm, D.E.
登録日2015-05-13
公開日2015-06-10
最終更新日2015-06-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Preparation and biological evaluation of conformationally constrained BACE1 inhibitors.
Bioorg.Med.Chem., 23, 2015
5D85
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BU of 5d85 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnA bound to aminoacrylate intermediate
分子名称: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, CITRATE ANION, GLYCEROL, ...
著者Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P.
登録日2015-08-15
公開日2016-02-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
3QE0
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BU of 3qe0 by Molmil
A Galpha-i1 P-loop mutation prevents transition to the activated state
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, KB752 peptide, ...
著者Bosch, D.E, Willard, F.S, Kimple, A.J, Miley, M.J, Siderovski, D.P.
登録日2011-01-19
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A P-loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications for G-protein Signaling in Fungal Pathogenesis
Plos Pathog., 8, 2012
3QGK
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BU of 3qgk by Molmil
3.0 A Model of Iron Containing Urease UreA2B2 from Helicobacter mustelae (refined w/ no ordered solvent)
分子名称: FE (III) ION, Fusion of urease beta and gamma subunits, Urease subunit beta 2
著者Tronrud, D.E, Robbins, A, Karplus, P.A.
登録日2011-01-24
公開日2011-08-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Iron-containing urease in a pathogenic bacterium.
Proc.Natl.Acad.Sci.USA, 108, 2011
5D86
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BU of 5d86 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F variant
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P.
登録日2015-08-15
公開日2016-02-03
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
5C0U
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BU of 5c0u by Molmil
Crystal structure of the copper-bound form of MerB mutant D99S
分子名称: Alkylmercury lyase, BROMIDE ION, COPPER (II) ION
著者Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G.
登録日2015-06-12
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity.
Biochemistry, 55, 2016
5C23
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BU of 5c23 by Molmil
Parkin (S65DUblR0RBR)
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
著者Kumar, A, Aguirre, J.D, Condos, T.E.C, Martinez-Torres, R.J, Chaugule, V.K, Toth, R, Sundaramoorthy, R, Mercier, P, Knebel, A, Spratt, D.E, Barber, K.R, Shaw, G.S, Walden, H.
登録日2015-06-15
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Disruption of the autoinhibited state primes the E3 ligase parkin for activation and catalysis.
Embo J., 34, 2015
3QGA
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BU of 3qga by Molmil
3.0 A Model of Iron Containing Urease UreA2B2 from Helicobacter mustelae
分子名称: FE (III) ION, Fusion of urease beta and gamma subunits, Urease subunit beta 2
著者Tronrud, D.E, Robbins, A, Karplus, P.A.
登録日2011-01-24
公開日2011-08-10
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Iron-containing urease in a pathogenic bacterium.
Proc.Natl.Acad.Sci.USA, 108, 2011
3REF
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BU of 3ref by Molmil
Crystal structure of EhRho1 bound to GDP and Magnesium
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho-like small GTPase, ...
著者Bosch, D.E, Qiu, C, Siderovski, D.P.
登録日2011-04-04
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Unique structural and nucleotide exchange features of the Rho1 GTPase of Entamoeba histolytica.
J.Biol.Chem., 286, 2011
3TRW
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BU of 3trw by Molmil
Crystal structure of racemic villin headpiece subdomain crystallized in space group P-1
分子名称: Villin-1
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
5D87
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BU of 5d87 by Molmil
Staphyloferrin B precursor biosynthetic enzyme SbnA Y152F/S185G variant
分子名称: MAGNESIUM ION, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Kobylarz, M.J, Grigg, J.C, Liu, Y, Lee, M.S.F, Heinrichs, D.E, Murphy, M.E.P.
登録日2015-08-15
公開日2016-02-03
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Deciphering the Substrate Specificity of SbnA, the Enzyme Catalyzing the First Step in Staphyloferrin B Biosynthesis.
Biochemistry, 55, 2016
3TJW
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BU of 3tjw by Molmil
Crystal Structure of Quasiracemic Villin Headpiece Subdomain Containing (F5Phe10) Substitution
分子名称: D-Villin-1, L-Villin-1, SULFATE ION
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-08-25
公開日2012-01-25
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TND
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BU of 3tnd by Molmil
Crystal structure of Shigella flexneri VapBC toxin-antitoxin complex
分子名称: Antitoxin VapB, SODIUM ION, SULFATE ION, ...
著者Dienemann, C, Boggild, A, Winther, K.S, Gerdes, K, Brodersen, D.E.
登録日2011-09-01
公開日2011-11-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the VapBC Toxin-Antitoxin Complex from Shigella flexneri Reveals a Hetero-Octameric DNA-Binding Assembly.
J.Mol.Biol., 414, 2011
3R7D
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BU of 3r7d by Molmil
Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis
分子名称: Aspartate carbamoyltransferase, PHOSPHATE ION
著者Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R.
登録日2011-03-22
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.196 Å)
主引用文献Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis.
J.Mol.Biol., 411, 2011
3RNN
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BU of 3rnn by Molmil
Crystal Structure of iGluR2 Ligand Binding Domain with Symmetric Sulfonamide Containing Potentiator
分子名称: GLUTAMIC ACID, Glutamate receptor 2, N,N'-(benzene-1,4-diyldiethane-2,1-diyl)dipropane-2-sulfonamide, ...
著者Timm, D.E.
登録日2011-04-22
公開日2011-05-25
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and functional analysis of two new positive allosteric modulators of GluA2 desensitization and deactivation.
Mol.Pharmacol., 80, 2011
3TRV
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BU of 3trv by Molmil
Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution
分子名称: D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ...
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TRY
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BU of 3try by Molmil
Crystal structure of racemic villin headpiece subdomain in space group I-4c2
分子名称: D-Villin-1, SULFATE ION
著者Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
登録日2011-09-11
公開日2012-01-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
6TW3
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BU of 6tw3 by Molmil
HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera
分子名称: (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
4BCA
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BU of 4bca by Molmil
MAMMALIAN ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE: Tyr578Phe mutant
分子名称: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, CHLORIDE ION, ...
著者Nenci, S, Piano, V, Rosati, S, Aliverti, A, Pandini, V, Fraaije, M.W, Heck, A.J.R, Edmondson, D.E, Mattevi, A.
登録日2012-10-01
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Precursor of Ether Phospholipids is Synthesized by a Flavoenzyme Through Covalent Catalysis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4B2I
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Humanised monomeric RadA in complex with indazole
分子名称: 1H-indazole, DNA REPAIR AND RECOMBINATION PROTEIN RADA, PHOSPHATE ION
著者Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M.
登録日2012-07-16
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013

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