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4I5F
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Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S
分子名称: Alclohol dehydrogenase/short-chain dehydrogenase
著者Jarasch, A, Lerchner, A, Meining, W, Schiefner, A, Skerra, A.
登録日2012-11-28
公開日2013-06-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity.
Biotechnol.Bioeng., 110, 2013
4I9N
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Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
分子名称: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
著者Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
登録日2012-12-05
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4HZ8
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BU of 4hz8 by Molmil
Crystal structure of BglB with natural substrate
分子名称: Beta-glucosidase, beta-D-glucopyranose
著者Hwang, K.Y, Nam, K.H.
登録日2012-11-14
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Structural insights into the substrate recognition properties of beta-glucosidase.
Biochem.Biophys.Res.Commun., 391, 2010
4HZ7
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Crystal structure of BglB with glucose
分子名称: beta-D-glucopyranose, beta-glucosidase
著者Hwang, K.Y, Nam, K.H.
登録日2012-11-14
公開日2012-12-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the substrate recognition properties of beta-glucosidase.
Biochem.Biophys.Res.Commun., 391, 2010
4I3A
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BU of 4i3a by Molmil
Structures of PR1 and PR2 intermediates from time-resolved laue crystallography collected at 14ID-B, APS
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Jung, Y.O, Lee, J.H, Kim, J, Schmidt, M, Vukica, S, Moffat, K, Ihee, H.
登録日2012-11-26
公開日2013-03-20
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Volume-conserving trans-cis isomerization pathways in photoactive yellow protein visualized by picosecond X-ray crystallography
NAT.CHEM., 5, 2013
4I8G
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BU of 4i8g by Molmil
Bovine trypsin at 0.8 resolution
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Dauter, Z, Liebschner, D, Dauter, M, Brzuszkiewicz, A.
登録日2012-12-03
公開日2012-12-19
最終更新日2013-09-18
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献On the reproducibility of protein crystal structures: five atomic resolution structures of trypsin.
Acta Crystallogr.,Sect.D, 69, 2013
4J9P
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BU of 4j9p by Molmil
Human DNA polymerase eta-DNA postinsertion binary complex with TA base pair
分子名称: DNA (5'-D(*C*AP*TP*TP*AP*TP*GP*AP*CP*GP*CP*T)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*TP*CP*AP*TP*A)-3'), DNA polymerase eta, ...
著者Zhao, Y, Gregory, M, Biertumpfel, C, Hua, Y, Hanaoka, F, Yang, W.
登録日2013-02-16
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mechanism of somatic hypermutation at the WA motif by human DNA polymerase eta.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JCI
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BU of 4jci by Molmil
Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), SPACE GROUP P212121, unliganded
分子名称: Proline racemase, SODIUM ION
著者Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-02-21
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of csal_2705, a putative hydroxyproline epimerase from CHROMOHALOBACTER SALEXIGENS (TARGET EFI-506486), space group P212121, unliganded
To be Published
4JVV
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BU of 4jvv by Molmil
Crystal structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1, covalently bound with diisopropyl fluorophosphate (DFP), Northeast Structural Genomics Consortium (NESG) Target OR273
分子名称: evolved variant of the computationally designed serine hydrolase
著者Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-03-26
公開日2013-04-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.288 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4JQJ
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Aminoquinoline
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-20
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JGK
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BU of 4jgk by Molmil
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
分子名称: evolved variant of a designed serine hydrolase
著者Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-03-01
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
To be Published
4JUZ
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Ternary complex of gamma-OHPDG adduct modified dna (zero primer) with dna polymerase iv and incoming dgtp
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ...
著者Banerjee, S, Shanmugam, G, Stone, M.P.
登録日2013-03-25
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4JLP
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BU of 4jlp by Molmil
Crystal structure of R150K aquifex adenylate kinase mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Phung, L, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JM8
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Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMV
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BU of 4jmv by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4G57
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Staphylococcal Nuclease double mutant I72L, I92L
分子名称: Thermonuclease
著者Sakon, J, Stites, W.E, Gill, E, Latimer, E, Rosser, J.
登録日2012-07-17
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献

4FUE
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BU of 4fue by Molmil
Crystal Structure of the Urokinase
分子名称: 6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide, ACETATE ION, GLYCEROL, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4FTX
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BU of 4ftx by Molmil
Crystal structure of Ego3 homodimer
分子名称: Protein SLM4, SUCCINIC ACID
著者Zhang, T, Peli-Gulli, M.P, Yang, H, De Virgilio, C, Ding, J.
登録日2012-06-28
公開日2012-11-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ego3 functions as a homodimer to mediate the interaction between Gtr1-Gtr2 and Ego1 in the ego complex to activate TORC1.
Structure, 20, 2012
4FUG
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BU of 4fug by Molmil
Crystal Structure of the Urokinase
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V.
登録日2012-06-28
公開日2012-08-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the Urokinase
to be published
4ILE
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BU of 4ile by Molmil
Structure of human ADP-ribosylation factor-like 8A binding to GDP
分子名称: ADP-ribosylation factor-like protein 8A, GUANOSINE-5'-DIPHOSPHATE
著者Xie, Y, Ren, J, Cheng, Z, Qian, H.
登録日2012-12-31
公開日2014-01-01
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.676 Å)
主引用文献Structure of human ADP-ribosylation factor-like 8A binding to GDP
To be Published
4IIQ
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BU of 4iiq by Molmil
Crystal structure of a human MAIT TCR in complex with bovine MR1
分子名称: Beta-2-microglobulin, MHC class I-related protein, Human Mucosal Associated Invariant T cell receptor alpha chain, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2012-12-20
公開日2013-04-24
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4ILQ
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2.60A resolution structure of CT771 from Chlamydia trachomatis
分子名称: CT771, GLYCEROL, SULFATE ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2012-12-31
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
4J22
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Tankyrase 2 in complex with 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
分子名称: 3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, SULFATE ION, Tankyrase-2, ...
著者Jansson, A.E, Larsson, E.A, Nordlund, P.L.
登録日2013-02-04
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Fragment-based ligand design of novel potent inhibitors of tankyrases.
J.Med.Chem., 56, 2013
4J34
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Crystal Structure of kynurenine 3-monooxygenase - truncated at position 394 plus HIS tag cleaved.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者Amaral, M, Levy, C, Heyes, D.J, Lafite, P, Outeiro, T.F, Giorgini, F, Leys, D, Scrutton, N.S.
登録日2013-02-05
公開日2013-04-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural basis of kynurenine 3-monooxygenase inhibition.
Nature, 496, 2013
4IXU
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Crystal structure of human Arginase-2 complexed with inhibitor 11d: {(5R)-5-amino-5-carboxy-5-[(3-endo)-8-(3,4-dichlorobenzyl)-8-azabicyclo[3.2.1]oct-3-yl]pentyl}(trihydroxy)borate(1-)
分子名称: Arginase-2, mitochondrial, BENZAMIDINE, ...
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D, Beckett, P, Van Zandt, M.C, Ji, M.K, Ryder, T, Jagdmann, R, Andreoli, M, Olczak, J, Mazur, M, Czestkowski, W, Piotrowska, W, Schroeter, H, Golebiowski, A, Podjarny, A.
登録日2013-01-28
公開日2013-12-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis of quaternary alpha-amino acid-based arginase inhibitors via the Ugi reaction.
Bioorg.Med.Chem.Lett., 23, 2013

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