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2XU2
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BU of 2xu2 by Molmil
Crystal Structure of the hypothetical protein PA4511 from Pseudomonas aeruginosa
分子名称: CITRIC ACID, UPF0271 PROTEIN PA4511
著者Oke, M, Carter, L.G, Johnson, K.A, Liu, H, McMahon, S.A, White, M.F, Naismith, J.H.
登録日2010-10-14
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
2Z6D
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BU of 2z6d by Molmil
Crystal structure of LOV1 domain of phototropin2 from Arabidopsis thaliana
分子名称: FLAVIN MONONUCLEOTIDE, Phototropin-2
著者Nakasako, M, Matsuoka, D, Tokutomi, S.
登録日2007-07-29
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the LOV1 dimerization of Arabidopsis phototropins 1 and 2
J.Mol.Biol., 381, 2008
3ACT
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BU of 3act by Molmil
Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Histidine mutant
分子名称: Cellobiose Phosphorylase, GLYCEROL, PHOSPHATE ION, ...
著者Hidaka, M, Hayashi, M.A, Fushinobu, S.
登録日2010-01-08
公開日2010-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Engineering of cellobiose phosphorylase
To be Published
3BZF
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BU of 3bzf by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
登録日2008-01-17
公開日2008-04-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
3BSD
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BU of 3bsd by Molmil
Light harvesting protein from RC of Chlorobium tepidum
分子名称: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll a protein, MAGNESIUM ION
著者Nelson, N, Frolow, F, Brn-Shem, A.
登録日2007-12-23
公開日2008-01-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolution of photosystem I - from symmetry through pseudo-symmetry to asymmetry.
Febs Lett., 564, 2004
3BYV
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BU of 3byv by Molmil
Crystal structure of Toxoplasma gondii specific rhoptry antigen kinase domain
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Rhoptry kinase
著者Wernimont, A.K, Lunin, V.V, Yang, C, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Sibley, D, Qiu, W, Structural Genomics Consortium (SGC)
登録日2008-01-16
公開日2008-01-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
3CBF
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BU of 3cbf by Molmil
Crystal structure of LysN, alpha-aminoadipate aminotransferase, from Thermus thermophilus HB27
分子名称: (2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid, Alpha-aminodipate aminotransferase
著者Tomita, T, Miyazaki, T, Miyagawa, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
登録日2008-02-21
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mechanism for multiple-substrates recognition of alpha-aminoadipate aminotransferase from Thermus thermophilus
Proteins, 2008
4IAE
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BU of 4iae by Molmil
Crystal structure of BAY 60-2770 bound to nostoc H-NOX domain
分子名称: 4-({(4-carboxybutyl)[2-(5-fluoro-2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)ethyl]amino}methyl)benzoic acid, Alr2278 protein, MALONATE ION
著者Kumar, V, van den Akker, F, Martin, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4IAM
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BU of 4iam by Molmil
Crystal Structure of the C139A mutant of nostoc H-NOX domain
分子名称: Alr2278 protein, MALONATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Kumar, V, van den Akker, F.
登録日2012-12-06
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Insights into BAY 60-2770 Activation and S-Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain Complexes.
Biochemistry, 52, 2013
4JB0
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BU of 4jb0 by Molmil
Rhodopseudomonas palustris (strain CGA009) Rp1789 transport protein
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, GLYCEROL, ...
著者Salmon, R.
登録日2013-02-19
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献The CouPSTU and TarPQM Transporters in Rhodopseudomonas palustris: Redundant, Promiscuous Uptake Systems for Lignin-Derived Aromatic Substrates.
Plos One, 8, 2013
4JB2
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BU of 4jb2 by Molmil
Rhodopseudomonas palustris (strain CGA009) Rp1789
分子名称: Branched-chain amino acid transport system substrate-binding protein, GLYCEROL
著者Salmon, R.
登録日2013-02-19
公開日2013-04-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The CouPSTU and TarPQM Transporters in Rhodopseudomonas palustris: Redundant, Promiscuous Uptake Systems for Lignin-Derived Aromatic Substrates.
Plos One, 8, 2013
2V1V
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BU of 2v1v by Molmil
3D STRUCTURE OF THE M8L MUTANT OF SQUASH TRYPSIN INHIBITOR CMTI-I
分子名称: TRYPSIN INHIBITOR 1
著者Sledz, P, Bolewska, K, Bierzynski, A, Zhukov, I.
登録日2007-05-30
公開日2007-06-19
最終更新日2019-10-09
実験手法SOLUTION NMR
主引用文献Conservative mutation Met8 --> Leu affects the folding process and structural stability of squash trypsin inhibitor CMTI-I.
Protein Sci., 9, 2000
4JIB
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BU of 4jib by Molmil
Crystal structure of of PDE2-inhibitor complex
分子名称: 1-(2-hydroxyethyl)-3-(2-methylbutan-2-yl)-5-[4-(2-methyl-1H-imidazol-1-yl)phenyl]-6,7-dihydropyrazolo[4,3-e][1,4]diazepin-8(1H)-one, MAGNESIUM ION, ZINC ION, ...
著者Pandit, J.
登録日2013-03-05
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, Part I: Transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4KRZ
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BU of 4krz by Molmil
Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi
分子名称: GLYCEROL, POTASSIUM ION, Pyruvate kinase
著者Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-05-17
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4KS0
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BU of 4ks0 by Molmil
Pyruvate kinase (PYK) from Trypanosoma cruzi in the presence of Magnesium, oxalate and F26BP
分子名称: 2,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ...
著者Morgan, H.P, Zhong, W, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D.
登録日2013-05-17
公開日2014-11-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
4HU2
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BU of 4hu2 by Molmil
Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain A and B
分子名称: PROBABLE CONSERVED LIPOPROTEIN LPPS, SULFATE ION
著者Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G.
登録日2012-11-02
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
4HUC
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BU of 4huc by Molmil
Crystal structure of LdtMt2, a L,D-transpeptidase from Mycobacterium tuberculosis: domain B and C
分子名称: ACETATE ION, PROBABLE CONSERVED LIPOPROTEIN LPPS, SODIUM ION
著者Both, D, Steiner, E, Lindqvist, Y, Schnell, R, Schneider, G.
登録日2012-11-02
公開日2012-12-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of LdtMt2, an L,D-transpeptidase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 69, 2013
4L7T
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BU of 4l7t by Molmil
B. fragilis NanU
分子名称: 1,2-ETHANEDIOL, ACETATE ION, NanU sialic acid binding protein, ...
著者Rafferty, J.B, Phansopa, C, Stafford, G.P.
登録日2013-06-14
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural and functional characterization of NanU, a novel high-affinity sialic acid-inducible binding protein of oral and gut-dwelling Bacteroidetes species.
Biochem.J., 458, 2014
2QCF
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BU of 2qcf by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain (Asp312Asn mutant) of human UMP synthase bound to 5-fluoro-UMP
分子名称: 5-FLUORO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, Uridine 5'-monophosphate synthase (UMP synthase)
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
2QCE
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BU of 2qce by Molmil
Crystal structure of the orotidine-5'-monophosphate decarboxylase domain of human UMP synthase bound to sulfate, glycerol, and chloride
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Wittmann, J, Rudolph, M.
登録日2007-06-19
公開日2007-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structures of the human orotidine-5'-monophosphate decarboxylase support a covalent mechanism and provide a framework for drug design.
Structure, 16, 2008
3GEH
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BU of 3geh by Molmil
Crystal structure of MnmE from Nostoc in complex with GDP, FOLINIC ACID and ZN
分子名称: GUANOSINE-5'-DIPHOSPHATE, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ZINC ION, ...
著者Meyer, S, Wittinghofer, A.
登録日2009-02-25
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Kissing G domains of MnmE monitored by X-ray crystallography and pulse electron paramagnetic resonance spectroscopy
Plos Biol., 7, 2009
5U2F
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BU of 5u2f by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2558HA
分子名称: Bromodomain-containing protein 4, N-hydroxy-4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzamide
著者Andrews, F.H, Kutateladze, T.G.
登録日2016-11-30
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.525 Å)
主引用文献Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3BZE
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BU of 3bze by Molmil
The human non-classical major histocompatibility complex molecule HLA-E
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, alpha chain E, ...
著者Hoare, H.L, Sullivan, L.C, Ely, L.K, Beddoe, T, Henderson, K.N, Lin, J, Clements, C.S, Reid, H.H, Brooks, A.G, Rossjohn, J.
登録日2008-01-17
公開日2008-04-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Subtle changes in peptide conformation profoundly affect recognition of the non-classical MHC class I molecule HLA-E by the CD94-NKG2 natural killer cell receptors
J.Mol.Biol., 377, 2008
8W0Q
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BU of 8w0q by Molmil
Pembrolizumab CDR-H3 Loop Mimic
分子名称: Pembrolizumab CDR-H3 Loop Mimic
著者Feig, M, Roche, S.P.
登録日2024-02-14
公開日2024-07-03
最終更新日2024-07-31
実験手法SOLUTION NMR
主引用文献De Novo Synthesis and Structural Elucidation of CDR-H3 Loop Mimics.
Acs Chem.Biol., 19, 2024
5U2E
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BU of 5u2e by Molmil
BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535
分子名称: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate
著者Andrews, F.H, Kutateladze, T.G.
登録日2016-11-30
公開日2017-02-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.991 Å)
主引用文献Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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