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2I40
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BU of 2i40 by Molmil
Cdk2/Cyclin A complexed with a thiophene carboxamide inhibitor
分子名称: 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE, Cell division protein kinase 2, Cyclin-A2
著者Shewchuk, L.M.
登録日2006-08-21
公開日2006-10-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase
Bioorg.Med.Chem.Lett., 16, 2006
2IAY
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BU of 2iay by Molmil
Crystal structure of a duf1831 family protein (lp2179) from lactobacillus plantarum at 1.20 A resolution
分子名称: CHLORIDE ION, GLYCEROL, Hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2006-09-08
公開日2006-10-10
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of LP2179, the first representative of Pfam family PF08866, suggests a new fold with a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
2ICH
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BU of 2ich by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE ATTH (NE1406) FROM NITROSOMONAS EUROPAEA AT 2.00 A RESOLUTION
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Putative AttH, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-09-12
公開日2006-10-03
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the first representative of Pfam family PF09410 (DUF2006) reveals a structural signature of the calycin superfamily that suggests a role in lipid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
2IIZ
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BU of 2iiz by Molmil
Crystal structure of putative melanin biosynthesis protein TyrA with bound heme (NP_716371.1) from Shewanella Oneidensis at 2.30 A resolution
分子名称: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Melanin biosynthesis protein TyrA, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2006-09-28
公開日2006-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and structural characterization of heme binding in a novel dye-decolorizing peroxidase, TyrA.
Proteins, 69, 2007
2MF3
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SGTX-Sf1a
分子名称: U2-segestritoxin-Sf1a
著者Mobli, M, Bende, N.S, King, G.F.
登録日2013-10-04
公開日2014-10-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The insecticidal spider toxin SFI1 is a knottin peptide that blocks the pore of insect voltage-gated sodium channels via a large beta-hairpin loop.
Febs J., 282, 2015
6CVE
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BU of 6cve by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin Synthetase in complex with cytidine triphosphate and 7,8-diaminopelargonic acid
分子名称: 7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID, ATP-dependent dethiobiotin synthetase BioD, CITRATE ANION, ...
著者Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
4HWY
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BU of 4hwy by Molmil
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H.
登録日2012-11-09
公開日2012-12-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
6CVV
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-03-29
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZC
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BU of 6czc by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZE
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Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CVF
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BU of 6cvf by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine diphosphate
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Bruning, J.B, Wegener, K.L, Polyak, S.W.
登録日2018-03-28
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6CZB
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BU of 6czb by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with uridine triphosphate (UTP) - promiscuous binding mode with disordered nucleoside
分子名称: ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, URIDINE 5'-TRIPHOSPHATE
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-04-09
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes
Acs Catalysis, 8(11), 2018
6E06
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BU of 6e06 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in citrate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
6E05
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BU of 6e05 by Molmil
Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine triphosphate solved by precipitant-ligand exchange (crystals grown in sulfate precipitant)
分子名称: ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W.
登録日2018-07-06
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
2N7I
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BU of 2n7i by Molmil
NMR structure of the prolactin receptor transmembrane domain
分子名称: Prolactin receptor
著者Bugge, K, Kragelund, B.B.
登録日2015-09-11
公開日2016-05-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A combined computational and structural model of the full-length human prolactin receptor.
Nat Commun, 7, 2016
2NMT
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BU of 2nmt by Molmil
MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE BOUND TO MYRISTOYL-COA AND PEPTIDE ANALOGS
分子名称: GLYCEROL, MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE, S-(2-OXO)PENTADECYLCOA, ...
著者Fuetterer, K, Bhatnagar, R.S, Waksman, G.
登録日1998-07-14
公開日1999-01-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of N-myristoyltransferase with bound myristoylCoA and peptide substrate analogs.
Nat.Struct.Biol., 5, 1998
2OOK
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BU of 2ook by Molmil
Crystal structure of a protein with unknown function (YP_749275.1) from Shewanella Frigidimarina NCIMB 400 at 1.80 A resolution
分子名称: 1,2-ETHANEDIOL, Hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-01-25
公開日2007-02-06
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Open and closed conformations of two SpoIIAA-like proteins (YP_749275.1 and YP_001095227.1) provide insights into membrane association and ligand binding.
Acta Crystallogr.,Sect.F, 66, 2010
334D
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BU of 334d by Molmil
DEFINING GC-SPECIFICITY IN THE MINOR GROOVE: SIDE-BY-SIDE BINDING OF THE DI-IMIDAZOLE LEXITROPSIN TO C-A-T-G-G-C-C-A-T-G
分子名称: CALCIUM ION, DIIMIDAZOLE LEXITROPSIN, DNA (5'-D(*CP*AP*TP*GP*GP*CP*CP*AP*TP*G)-3')
著者Kopka, M.L, Goodsell, D.S, Dickerson, R.E.
登録日1997-05-22
公開日1997-08-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Defining GC-specificity in the minor groove: side-by-side binding of the di-imidazole lexitropsin to C-A-T-G-G-C-C-A-T-G.
Structure, 5, 1997
2OOC
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BU of 2ooc by Molmil
Crystal structure of Histidine Phosphotransferase ShpA (NP_419930.1) from Caulobacter crescentus at 1.52 A resolution
分子名称: GLYCEROL, Histidine phosphotransferase, TETRAETHYLENE GLYCOL
著者Joint Center for Structural Genomics (JCSG)
登録日2007-01-25
公開日2007-02-06
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of histidine phosphotransfer protein ShpA, an essential regulator of stalk biogenesis in Caulobacter crescentus.
J.Mol.Biol., 390, 2009
2P55
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X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP
分子名称: 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ...
著者Ohren, J.F, Pavlovsky, A.G.
登録日2007-03-14
公開日2007-10-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50, 2007
3BY7
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CRYSTAL STRUCTURE OF A PROTEIN STRUCTURALLY SIMILAR TO SM/LSM-LIKE RNA-BINDING PROTEINS (JCVI_PEP_1096686650277) FROM UNCULTURED MARINE ORGANISM AT 2.60 A RESOLUTION
分子名称: uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2008-01-15
公開日2008-01-29
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a novel Sm-like protein of putative cyanophage origin at 2.60 A resolution.
Proteins, 75, 2009
2PV7
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Crystal structure of chorismate mutase / prephenate dehydrogenase (tyrA) (1574749) from Haemophilus influenzae RD at 2.00 A resolution
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, T-protein [Includes: Chorismate mutase (EC 5.4.99.5) (CM) and Prephenate dehydrogenase (EC 1.3.1.12) (PDH)], TYROSINE
著者Joint Center for Structural Genomics (JCSG)
登録日2007-05-09
公開日2007-05-22
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of Haemophilus influenzae prephenate dehydrogenase suggests unique features of bifunctional TyrA enzymes.
Acta Crystallogr.,Sect.F, 66, 2010
2Q8U
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CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 A RESOLUTION
分子名称: Exonuclease, putative
著者Joint Center for Structural Genomics (JCSG)
登録日2007-06-11
公開日2007-06-26
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the first eubacterial Mre11 nuclease reveals novel features that may discriminate substrates during DNA repair.
J.Mol.Biol., 397, 2010
3BOS
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BU of 3bos by Molmil
Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2007-12-17
公開日2008-01-15
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A structural basis for the regulatory inactivation of DnaA.
J.Mol.Biol., 385, 2009
3B77
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Crystal structure of a ph domain containing bacterial protein (exig_2160) from exiguobacterium sibiricum 255-15 at 2.42 A resolution
分子名称: Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2007-10-30
公開日2007-11-13
最終更新日2023-01-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Bacterial pleckstrin homology domains: a prokaryotic origin for the PH domain.
J.Mol.Biol., 396, 2010

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