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2ZS9
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Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Pantothenate
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, PANTOTHENOIC ACID, ...
著者Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
登録日2008-09-04
公開日2009-07-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
6G8J
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BU of 6g8j by Molmil
14-3-3sigma in complex with a A130beta3A mutated YAP pS127 phosphopeptide
分子名称: 14-3-3 protein sigma, ACE-ARG-ALA-HIS-SEP-SER-PRO-BAL-SER-LEU-GLN, CHLORIDE ION, ...
著者Andrei, S.A, Thijssen, V, Brunsveld, L, Ottmann, C, Milroy, L.G.
登録日2018-04-09
公開日2019-04-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献A study on the effect of synthetic alpha-to-beta3-amino acid mutations on the binding of phosphopeptides to 14-3-3 proteins.
Chem.Commun.(Camb.), 55, 2019
6G39
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Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, IODIDE ION, ...
著者Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-03-24
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
5CE6
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BU of 5ce6 by Molmil
N-terminal domain of FACT complex subunit SPT16 from Cicer arietinum (chickpea)
分子名称: ACETATE ION, FACT-Spt16, POTASSIUM ION, ...
著者Are, V.N, Ghosh, B, Kumar, A, Makde, R.
登録日2015-07-06
公開日2016-04-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and dynamics of Spt16N-domain of FACT complex from Cicer arietinum.
Int.J.Biol.Macromol., 88, 2016
6K8G
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H/D exchanged Hen egg-white lysozyme
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Kita, A, Morimoto, Y.
登録日2019-06-11
公開日2020-06-17
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Hydrogen/deuterium exchange behavior in tetragonal hen egg-white lysozyme crystals affected by solution state.
J.Appl.Crystallogr., 53, 2020
6JSG
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BU of 6jsg by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I.
登録日2019-04-08
公開日2019-08-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
1AOR
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BU of 1aor by Molmil
STRUCTURE OF A HYPERTHERMOPHILIC TUNGSTOPTERIN ENZYME, ALDEHYDE FERREDOXIN OXIDOREDUCTASE
分子名称: ALDEHYDE FERREDOXIN OXIDOREDUCTASE, FE (III) ION, IRON/SULFUR CLUSTER, ...
著者Chan, M.K, Mukund, S, Kletzin, A, Adams, M.W.W, Rees, D.C.
登録日1995-02-13
公開日1995-04-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a hyperthermophilic tungstopterin enzyme, aldehyde ferredoxin oxidoreductase.
Science, 267, 1995
3TFJ
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BU of 3tfj by Molmil
DMSP-dependent demethylase from P. ubique - with cofactor THF
分子名称: (6S)-5,6,7,8-TETRAHYDROFOLATE, ACETATE ION, GLYCEROL, ...
著者Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N.
登録日2011-08-15
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique.
Protein Sci., 21, 2012
5CQK
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BU of 5cqk by Molmil
Crystal Structure of the Cancer Genomic DNA Mutator APOBEC3B
分子名称: DNA dC->dU-editing enzyme APOBEC-3B, GLYCEROL, SODIUM ION, ...
著者Shi, K, Kurahashi, K, Aihara, H.
登録日2015-07-21
公開日2015-10-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of the DNA Deaminase APOBEC3B Catalytic Domain.
J.Biol.Chem., 290, 2015
6H10
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Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A.
登録日2018-07-10
公開日2020-01-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.104 Å)
主引用文献Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR073
To be published
3TFH
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BU of 3tfh by Molmil
DMSP-dependent demethylase from P. ubique - apo
分子名称: GLYCEROL, GcvT-like Aminomethyltransferase protein, SODIUM ION
著者Schuller, D.J, Reisch, C.R, Moran, M.A, Whitman, W.B, Lanzilotta, W.N.
登録日2011-08-15
公開日2011-12-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of dimethylsulfoniopropionate-dependent demethylase from the marine organism Pelagabacter ubique.
Protein Sci., 21, 2012
6ILX
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BU of 6ilx by Molmil
Crystal structure of PETase W159F mutant from Ideonella sakaiensis
分子名称: CHLORIDE ION, Poly(ethylene terephthalate) hydrolase, SODIUM ION
著者Liu, C.C, Shi, C.
登録日2018-10-20
公開日2019-03-27
最終更新日2020-09-09
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural and functional characterization of polyethylene terephthalate hydrolase from Ideonella sakaiensis.
Biochem. Biophys. Res. Commun., 508, 2019
6GRP
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BU of 6grp by Molmil
Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-12
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
3TF9
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BU of 3tf9 by Molmil
Crystal structure of an H-NOX protein from Nostoc sp. PCC 7120 under 1 atm of xenon
分子名称: Alr2278 protein, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ...
著者Winter, M.B, Herzik Jr, M.A, Kuriyan, J, Marletta, M.A.
登録日2011-08-15
公開日2011-11-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5901 Å)
主引用文献Tunnels modulate ligand flux in a heme nitric oxide/oxygen binding (H-NOX) domain.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TFS
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BU of 3tfs by Molmil
Ternary complex structure of DNA polymerase beta with a gapped DNA substrate and a, b dAMP(CFH)PP in the active site: Stereoselective binding of (S) isomer
分子名称: 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Chamberlain, B.T, Batra, V.K, Beard, W.A, Kadina, A.P, Shock, D.D, Kashemirov, B.A, McKenna, C.E, Goodman, M.F, Wilson, S.H.
登録日2011-08-16
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Stereospecific Formation of a Ternary Complex of (S)-alpha, beta-Fluoromethylene-dATP with DNA Pol beta.
Chembiochem, 13, 2012
1VBY
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BU of 1vby by Molmil
Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, and Mn2+ bound
分子名称: Hepatitis Delta virus ribozyme, MANGANESE (II) ION, SODIUM ION, ...
著者Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A.
登録日2004-03-03
公開日2004-05-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Conformational Switch controls hepatitis delta virus ribozyme catalysis
NATURE, 429, 2004
3RJH
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Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG:dA at primer terminus and dG:dCMP(CF2)PPin the active site
分子名称: 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Beard, W.A, Wilson, S.H.
登録日2011-04-15
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion
Proc.Natl.Acad.Sci.USA, 109, 2012
6G36
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BU of 6g36 by Molmil
Crystal structure of haspin in complex with 5-chlorotubercidin
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-chlorotubercidin, COBALT (II) ION, ...
著者Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-03-24
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times.
Angew. Chem. Int. Ed. Engl., 57, 2018
3R69
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Molecular analysis of the interaction of the HDL-receptor SR-BI with the PDZ3 domain of its adaptor protein PDZK1
分子名称: CITRIC ACID, Na(+)/H(+) exchange regulatory cofactor NHE-RF3, Scavenger receptor class B member 1
著者Kocher, O, Birrane, G, Krieger, M.
登録日2011-03-21
公開日2011-05-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Identification of the PDZ3 Domain of the Adaptor Protein PDZK1 as a Second, Physiologically Functional Binding Site for the C Terminus of the High Density Lipoprotein Receptor Scavenger Receptor Class B Type I.
J.Biol.Chem., 286, 2011
3RAY
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BU of 3ray by Molmil
Crystal structure of Methyltransferase domain of human PR domain-containing protein 11
分子名称: CHLORIDE ION, PR domain-containing protein 11, SODIUM ION, ...
著者Dong, A, Zeng, H, Loppnau, P, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2011-03-28
公開日2011-04-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure of Methyltransferase domain of human PR domain-containing protein 11
To be Published
3BOV
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Crystal structure of the receptor binding domain of mouse PD-L2
分子名称: FORMIC ACID, Programmed cell death 1 ligand 2, SODIUM ION
著者Lazar-Molnar, E, Ramagopal, U, Cao, E, Toro, R, Nathenson, S.G, Almo, S.C.
登録日2007-12-17
公開日2008-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of the complex between programmed death-1 (PD-1) and its ligand PD-L2.
Proc.Natl.Acad.Sci.USA, 105, 2008
3RC3
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BU of 3rc3 by Molmil
Human Mitochondrial Helicase Suv3
分子名称: ATP-dependent RNA helicase SUPV3L1, mitochondrial, AZIDE ION, ...
著者Dauter, Z, Jedrzejczak, R, Dauter, M, Szczesny, R, Stepien, P.
登録日2011-03-30
公開日2011-05-11
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Human Suv3 protein reveals unique features among SF2 helicases.
Acta Crystallogr.,Sect.D, 67, 2011
5COQ
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BU of 5coq by Molmil
The effect of valine to alanine mutation on InhA enzyme crystallization pattern and substrate binding loop conformation and flexibility
分子名称: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Li, H.-J, Lai, C.-T, Liu, N, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C.
登録日2015-07-20
公開日2015-08-05
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
3RJF
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Ternary complex of DNA Polymerase Beta with a gapped DNA containing (syn)8odG at template position paired with non-hydrolyzable dATP analog (dApCPP)
分子名称: 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Beard, W.A, Wilson, S.H.
登録日2011-04-15
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion
Proc.Natl.Acad.Sci.USA, 109, 2012
1V75
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Crystal structure of hemoglobin D from the Aldabra giant tortoise (Geochelone gigantea) at 2.0 A resolution
分子名称: Hemoglobin A and D beta chain, Hemoglobin D alpha chain, PROTOPORPHYRIN IX CONTAINING FE
著者Kuwada, T, Hasegawa, T, Satoh, I, Ishikawa, K, Shishikura, F.
登録日2003-12-12
公開日2003-12-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystallization and preliminary X-ray diffraction study of hemoglobin D from the Aldabra giant tortoise, Geochelone gigantea.
Protein Pept.Lett., 10, 2003

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