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3B2F
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Maize Ferredoxin 1
分子名称: FE2/S2 (INORGANIC) CLUSTER, Ferredoxin-1, chloroplastic
著者Kurisu, G, Hase, T.
登録日2011-08-01
公開日2012-06-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A new structural insight into differential interaction of cyanobacterial and plant ferredoxins with nitrite reductase as revealed by NMR and X-ray crystallographic studies
J.Biochem., 151, 2012
4N7U
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BU of 4n7u by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 in Complex with CHDMAPP
分子名称: Butyrophilin subfamily 3 member A1, GLYCEROL, [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-phosphonooxy-phosphinic acid
著者Sandstrom, A, Adams, E.J.
登録日2013-10-16
公開日2014-04-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.4598 Å)
主引用文献The Intracellular B30.2 Domain of Butyrophilin 3A1 Binds Phosphoantigens to Mediate Activation of Human V gamma 9V delta 2 T Cells.
Immunity, 40, 2014
6I3U
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BU of 6i3u by Molmil
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
分子名称: 2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
著者Leonard, P.M.
登録日2018-11-07
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Optimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
J.Med.Chem., 62, 2019
6JUO
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BU of 6juo by Molmil
MsDpo4-DNA complex 4
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*CP*TP*GP*GP*GP*GP*TP*CP*CP*TP*AP*GP*G)-3'), DNA polymerase IV, ...
著者Nair, D.T, Johnson, M.K.
登録日2019-04-15
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
4HBW
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BU of 4hbw by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazoline ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, ...
著者Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Fish, P.V, Bunnage, M.E, Cook, A.S, Owen, D.R, Knapp, S, Structural Genomics Consortium (SGC)
登録日2012-09-28
公開日2012-10-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Identification of a Chemical Probe for Bromo and Extra C-Terminal Bromodomain Inhibition through Optimization of a Fragment-Derived Hit.
J.Med.Chem., 55, 2012
6UBQ
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BU of 6ubq by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 100 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-09-12
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.2991 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
4GRH
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BU of 4grh by Molmil
Crystal structure of pabB of Stenotrophomonas maltophilia
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, MAGNESIUM ION, POLYETHYLENE GLYCOL (N=34), ...
著者Bera, A, Atanasova, V, Ladner, J.E, Parsons, J.F.
登録日2012-08-24
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of Aminodeoxychorismate Synthase from Stenotrophomonas maltophilia.
Biochemistry, 51, 2012
6UCW
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Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K
分子名称: CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase
著者Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S.
登録日2019-09-17
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6UD5
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BU of 6ud5 by Molmil
Crystal structure of human tryptophan 2,3-dioxygenase in complex with carbon monoxide and tryptophan
分子名称: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, ...
著者Pham, K.N, Lewis-Ballester, A, Yeh, S.R.
登録日2019-09-18
公開日2021-02-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Conformational Plasticity in Human Heme-Based Dioxygenases.
J.Am.Chem.Soc., 143, 2021
6UEX
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BU of 6uex by Molmil
Crystal structure of S. aureus LcpA in complex with octaprenyl-pyrophosphate-GlcNAc
分子名称: 2-(acetylamino)-2-deoxy-1-O-[(S)-hydroxy{[(S)-hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]oxy}phosphoryl]oxy}phosphoryl]-alpha-D-glucopyranose, GLYCEROL, Regulatory protein MsrR, ...
著者Li, F.K.K, Strynadka, N.C.J.
登録日2019-09-23
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis ofStaphylococcus aureusLcpA, the primary wall teichoic acid ligase.
J.Biol.Chem., 295, 2020
4MTA
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BU of 4mta by Molmil
Crystal structure of Pim-1 kinase domain in complex with 2-methyl-5-phenylfuran-3-carboxylic acid
分子名称: 2-methyl-5-phenylfuran-3-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1
著者Scheufler, C, Be, C.
登録日2013-09-19
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Large scale meta-analysis of fragment-based screening campaigns: privileged fragments and complementary technologies.
J Biomol Screen, 20, 2015
4RN4
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BU of 4rn4 by Molmil
Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety
分子名称: 2-({[1-(beta-D-glucopyranosyl)-1H-1,2,3-triazol-4-yl]methyl}[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]amino)-5-sulfamoyl-1,3,4-thiadiazole, Carbonic anhydrase 2, FORMIC ACID, ...
著者Ren, B, Tanpure, R, Peat, T.S, Bornaghi, L.F, Vullo, D, Supuran, C.T, Poulsen, S.
登録日2014-10-22
公開日2015-01-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site.
J.Med.Chem., 58, 2015
6JUQ
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BU of 6juq by Molmil
mutant PolIV-DNA incoming nucleotide complex 2
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(P*CP*TP*GP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*GP*TP*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), ...
著者Nair, D.T, Johnson, M.K.
登録日2019-04-15
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
6TZD
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BU of 6tzd by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 280 K
分子名称: 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-08-12
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4507 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TH1
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BU of 6th1 by Molmil
IE1 from rat cytomegalovirus
分子名称: Immediate early protein 1
著者Schweininger, J, Muller, Y.A.
登録日2019-11-18
公開日2020-11-25
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Cytomegalovirus immediate-early 1 proteins form a structurally distinct protein class with adaptations determining cross-species barriers.
Plos Pathog., 17, 2021
6JUS
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BU of 6jus by Molmil
MsDpo4-DNA complex 6
分子名称: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine, DNA (5'-D(*TP*CP*TP*GP*GP*GP*GP*TP*CP*CP*TP*AP*G)-3'), DNA polymerase IV, ...
著者Nair, D.T, Johnson, M.K.
登録日2019-04-15
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
4RKJ
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BU of 4rkj by Molmil
Crystal structure of thrombin mutant S195T (free form)
分子名称: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
6JUL
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BU of 6jul by Molmil
MsDpo4-DNA complex 1
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*CP*CP*TP*AP*GP*GP*AP*CP*CP*C)-3'), DNA polymerase IV, ...
著者Nair, D.T, Johnson, M.K.
登録日2019-04-15
公開日2020-02-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A polar filter in DNA polymerases prevents ribonucleotide incorporation.
Nucleic Acids Res., 47, 2019
4HYT
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BU of 4hyt by Molmil
Na,K-ATPase in the E2P state with bound ouabain and Mg2+ in the cation-binding site
分子名称: 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 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Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U.
登録日2012-11-14
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.404 Å)
主引用文献Crystal structure of the high-affinity Na+,K+-ATPase-ouabain complex with Mg2+ bound in the cation binding site.
Proc.Natl.Acad.Sci.USA, 110, 2013
6IIM
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BU of 6iim by Molmil
USP14 catalytic domain with IU1-206
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
6IIN
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BU of 6iin by Molmil
USP14 catalytic domain with IU1-248
分子名称: 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W.
登録日2018-10-07
公開日2018-12-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
6RNQ
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BU of 6rnq by Molmil
Crystal structure of the dimerization domain of Gemin5 at 1.95 A
分子名称: Gem-associated protein 5, POTASSIUM ION
著者Moreno-Morcillo, M, Ramon-Maiques, S, Martinez-Salas, E.
登録日2019-05-09
公開日2019-11-27
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the dimerization of Gemin5 and its role in protein recruitment and translation control.
Nucleic Acids Res., 48, 2020
4TN7
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BU of 4tn7 by Molmil
Crystal structure of mouse KDM2A-H3K36ME-NO complex
分子名称: FE (III) ION, Lysine-specific demethylase 2A, NITRIC OXIDE, ...
著者Cheng, Z.
登録日2014-06-03
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
6U4I
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BU of 6u4i by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 280 K
分子名称: CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ...
著者Yabukarski, F, Herschlag, D.
登録日2019-08-25
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles.
Proc.Natl.Acad.Sci.USA, 117, 2020
4NY3
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BU of 4ny3 by Molmil
Human PTPA in complex with peptide
分子名称: GLYCEROL, SULFATE ION, Serine/threonine-protein phosphatase 2A activator, ...
著者Loew, C, Quistgaard, E.M, Nordlund, P.
登録日2013-12-10
公開日2014-07-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献Structural basis for PTPA interaction with the invariant C-terminal tail of PP2A.
Biol.Chem., 395, 2014

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