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3DTF
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BU of 3dtf by Molmil
Structural analysis of mycobacterial branched chain aminotransferase- implications for inhibitor design
分子名称: Branched-chain amino acid aminotransferase, GLYCEROL, SULFATE ION
著者Castell, A, Unge, T.
登録日2008-07-15
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of mycobacterial branched-chain aminotransferase: implications for inhibitor design.
Acta Crystallogr.,Sect.D, 66, 2010
4KL1
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BU of 4kl1 by Molmil
HCN4 CNBD in complex with cGMP
分子名称: ACETATE ION, CYCLIC GUANOSINE MONOPHOSPHATE, GLYCEROL, ...
著者Lolicato, M, Arrigoni, C, Zucca, S, Nardini, M, Bucchi, A, Schroeder, I, Simmons, K, Bolognesi, M, DiFrancesco, D, Schwede, F, Fishwick, C.W.G, Johnson, A.P.K, Thiel, G, Moroni, A.
登録日2013-05-07
公開日2014-04-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cyclic dinucleotides bind the C-linker of HCN4 to control channel cAMP responsiveness.
Nat.Chem.Biol., 10, 2014
3MIE
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BU of 3mie by Molmil
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by soaking (50mM NaN3)
分子名称: AZIDE ION, COPPER (II) ION, GLYCEROL, ...
著者Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M.
登録日2010-04-10
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.26 Å)
主引用文献Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
4KLZ
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BU of 4klz by Molmil
Inhibition of Small GTPases by Stabilization of the GDP Complex, a Novel Approach applied to Rit1, a Target for Rheumatoid Arthritis
分子名称: GTP-binding protein Rit1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Shah, D.M, Kobayashi, M, Keizers, P.H, Tuin, A.W, Ab, E, Manning, L, Rzepiela, A.A, Andrews, M, Hoedemaeker, F.J, Siegal, G.
登録日2013-05-07
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of Small GTPases by Stabilization of the GDP Complex, a Novel Approach applied to Rit1, a Target for Rheumatoid Arthritis
To be Published
3DUQ
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BU of 3duq by Molmil
E(L212)A, D(L213)A, N(M5)D triple mutant structure of photosynthetic reaction center from Rhodobacter sphaeroides
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
著者Pokkuluri, P.R, Schiffer, M.
登録日2008-07-17
公開日2009-06-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural description of compensatory mutations that restore proton transfer pathways to the L212A-L213A mutant bacterial reaction center
To be Published
3DE9
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BU of 3de9 by Molmil
Crystal Structure of a Trimeric Cytochrome cb562 Assembly Induced by Nickel Coordination
分子名称: NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, Soluble cytochrome b562
著者Salgado, E.N, Lewis, R.A, Rheingold, A.L, Tezcan, F.A.
登録日2008-06-08
公開日2009-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Control of protein oligomerization symmetry by metal coordination: C2 and C3 symmetrical assemblies through Cu(II) and Ni(II) coordination.
Inorg.Chem., 48, 2009
3MFR
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BU of 3mfr by Molmil
CASK-4M CaM Kinase Domain, native
分子名称: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK
著者Wahl, M.C, Mukherjee, K.
登録日2010-04-03
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolution of CASK into a Mg2+-sensitive kinase.
Sci.Signal., 3, 2010
4KIG
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BU of 4kig by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with 4-hydroxyphenylpyruvic acid
分子名称: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, CALCIUM ION, ...
著者Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
登録日2013-05-02
公開日2014-05-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
3MIO
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BU of 3mio by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase domain from Mycobacterium tuberculosis at pH 6.00
分子名称: 3,4-dihydroxy-2-butanone 4-phosphate synthase, GLYCEROL, PHOSPHATE ION, ...
著者Singh, M, Karthikeyan, S.
登録日2010-04-11
公開日2011-02-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for pH dependent monomer-dimer transition of 3,4-dihydroxy 2-butanone-4-phosphate synthase domain from Mycobacterium tuberculosis
J.Struct.Biol., 174, 2011
3MJ2
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BU of 3mj2 by Molmil
X-ray crystal structure of ITK complexed with inhibitor BMS-509744
分子名称: N-[5-({5-[(4-acetylpiperazin-1-yl)carbonyl]-4-methoxy-2-methylphenyl}sulfanyl)-1,3-thiazol-2-yl]-4-({[(1S)-1,2,2-trimethylpropyl]amino}methyl)benzamide, Tyrosine-protein kinase ITK/TSK
著者Kuglstatter, A, Villasenor, A.G.
登録日2010-04-12
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation.
Chem.Biol.Drug Des., 76, 2010
3DVC
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BU of 3dvc by Molmil
X-ray crystal structure of mutant N62T of human Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, ZINC ION
著者Avvaru, B.S.
登録日2008-07-18
公開日2008-11-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
4UNC
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BU of 4unc by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI IN COMPLEX WITH ITS TARGET DNA AT 8 DAYS INCUBATION IN 5MM MN (STATE 6)
分子名称: 5'-D(*CP*CP*GP*GP*CP*AP*AP*GP*GP*C)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP*CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*A)-3', ...
著者Molina, R, Stella, S, Redondo, P, Gomez, H, Marcaida, M.J, Orozco, M, Prieto, J, Montoya, G.
登録日2014-05-26
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Visualizing Phosphodiester-Bond Hydrolysis by an Endonuclease.
Nat.Struct.Mol.Biol., 22, 2015
3MMR
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BU of 3mmr by Molmil
Structure of Plasmodium falciparum Arginase in complex with ABH
分子名称: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, BETA-MERCAPTOETHANOL, ...
著者Dowling, D.P, Ilies, M, Olszewski, K.L, Portugal, S, Mota, M.M, Llinas, M, Christianson, D.W.
登録日2010-04-20
公開日2010-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of arginase from Plasmodium falciparum and implications for L-arginine depletion in malarial infection .
Biochemistry, 49, 2010
4KJW
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BU of 4kjw by Molmil
Structure of the CLC-ec1 deltaNC construct in 100mM fluoride and 20mM bromide
分子名称: Fab, heavy chain, light chain, ...
著者Lim, H.-H, Miller, C.
登録日2013-05-03
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Fluoride-dependent interruption of the transport cycle of a CLC Cl(-)/H(+) antiporter.
Nat.Chem.Biol., 9, 2013
3MHF
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BU of 3mhf by Molmil
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes
分子名称: CALCIUM ION, Tagatose 1,6-diphosphate aldolase 2
著者LowKam, C.
登録日2010-04-07
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of a class I tagatose-1,6-bisphosphate aldolase: investigation into an apparent loss of stereospecificity.
J.Biol.Chem., 285, 2010
3MIJ
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BU of 3mij by Molmil
Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand.
分子名称: N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide], POTASSIUM ION, RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3')
著者Collie, G.W, Neidle, S, Parkinson, G.N.
登録日2010-04-10
公開日2011-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of telomeric RNA quadruplex-acridine ligand recognition.
J.Am.Chem.Soc., 133, 2011
4KKG
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BU of 4kkg by Molmil
Crystal structure of apo and AMP-bound JNK3
分子名称: Mitogen-activated protein kinase 10
著者Han, B.G, Shim, M.B, Ahn, H.C.
登録日2013-05-06
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献crystal structure of apo and AMP-bound JNK3
To be Published
3MIW
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BU of 3miw by Molmil
Crystal Structure of Rotavirus NSP4
分子名称: 1,2-ETHANEDIOL, Non-structural glycoprotein 4
著者Chacko, A.R, Read, R.J, Dodson, E.J, Rao, D.C, Suguna, K.
登録日2010-04-12
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new pentameric structure of rotavirus NSP4 revealed by molecular replacement.
Acta Crystallogr.,Sect.D, 68, 2012
3D8V
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BU of 3d8v by Molmil
Crystal structure of GlmU from Mycobacterium tuberculosis in complex with uridine-diphosphate-N-acetylglucosamine
分子名称: Bifunctional protein glmU, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Zhang, Z, Squire, C.J, Baker, E.N.
登録日2008-05-25
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
4UN0
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BU of 4un0 by Molmil
Crystal structure of the human CDK12-cyclinK complex
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K
著者Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Chaikuad, A, Goubin, S, Krojer, T, Sorrell, F.J, Nowak, R, Williams, E, Kopec, J, Mahajan, R.P, Burgess-Brown, N, Carpenter, E.P, Knapp, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-05-22
公開日2014-06-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
4KN7
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BU of 4kn7 by Molmil
X-ray crystal structure of the Escherichia coli RNA polymerase in complex with Benzoxazinorifamycin-2c
分子名称: Benzoxazinorifamycin-2c, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Murakami, K.S.
登録日2013-05-08
公開日2013-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.686 Å)
主引用文献X-ray Crystal Structures of the Escherichia coli RNA Polymerase in Complex with Benzoxazinorifamycins.
J.Med.Chem., 56, 2013
4KPL
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BU of 4kpl by Molmil
Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg,d-mannonate and 2-keto-3-deoxy-d-gluconate
分子名称: 2-KETO-3-DEOXYGLUCONATE, CHLORIDE ION, D-MANNONIC ACID, ...
著者Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
登録日2013-05-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with Mg,d-mannonate and 2-keto-3-deoxy-d-gluconate
To be Published
3MN7
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BU of 3mn7 by Molmil
Structures of actin-bound WH2 domains of Spire and the implication for filament nucleation
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-5C, CALCIUM ION, ...
著者Ducka, A.M, Sitar, T, Popowicz, G.M, Huber, R, Holak, T.A.
登録日2010-04-21
公開日2010-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4KQW
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BU of 4kqw by Molmil
The structure of the Slackia exigua KARI in complex with NADP
分子名称: Ketol-acid reductoisomerase, L(+)-TARTARIC ACID, MAGNESIUM ION, ...
著者Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H.
登録日2013-05-15
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KL5
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BU of 4kl5 by Molmil
Crystal structure of NpuDnaE intein
分子名称: CITRIC ACID, DNA polymerase III, alpha subunit, ...
著者Aranko, A.S, Oeemig, J.S, Kajander, T, Iwai, H.
登録日2013-05-07
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Intermolecular domain swapping induces intein-mediated protein alternative splicing.
Nat.Chem.Biol., 9, 2013

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