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4MSE
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BU of 4mse by Molmil
Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline)
分子名称: 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MRZ
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BU of 4mrz by Molmil
Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine)
分子名称: 4-methyl-3-nitropyridin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-17
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSA
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BU of 4msa by Molmil
Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole)
分子名称: 5-nitro-1H-benzimidazole, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MS0
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BU of 4ms0 by Molmil
Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine)
分子名称: 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4NI0
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BU of 4ni0 by Molmil
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
分子名称: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
登録日2013-11-05
公開日2014-08-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4NI1
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Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound
分子名称: 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
著者Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
登録日2013-11-05
公開日2014-09-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4MSN
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BU of 4msn by Molmil
Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
分子名称: 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
著者Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
1VKX
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BU of 1vkx by Molmil
CRYSTAL STRUCTURE OF THE NFKB P50/P65 HETERODIMER COMPLEXED TO THE IMMUNOGLOBULIN KB DNA
分子名称: DNA (5'-D(*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*C)-3'), PROTEIN (NF-KAPPA B P50 SUBUNIT), ...
著者Chen, F, Huang, D.B, Ghosh, G.
登録日1997-09-17
公開日1998-12-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of p50/p65 heterodimer of transcription factor NF-kappaB bound to DNA.
Nature, 391, 1998
1ANV
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BU of 1anv by Molmil
ADENOVIRUS 5 DBP/URANYL FLUORIDE SOAK
分子名称: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, URANYL (VI) ION, ZINC ION
著者Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A.
登録日1996-03-14
公開日1997-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational change of the adenovirus DNA-binding protein induced by soaking crystals with K3UO2F5 solutions.
Acta Crystallogr.,Sect.D, 52, 1996
1ADU
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BU of 1adu by Molmil
EARLY E2A DNA-BINDING PROTEIN
分子名称: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
著者Tucker, P.A, Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C.
登録日1995-05-11
公開日1996-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
1ADV
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BU of 1adv by Molmil
EARLY E2A DNA-BINDING PROTEIN
分子名称: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
著者Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A.
登録日1995-05-12
公開日1996-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
1NST
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BU of 1nst by Molmil
THE SULFOTRANSFERASE DOMAIN OF HUMAN HAPARIN SULFATE N-DEACETYLASE/N-SULFOTRANSFERASE
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, HEPARAN SULFATE N-DEACETYLASE/N-SULFOTRANSFERASE
著者Kakuta, Y, Pedersen, L.C, Negishi, M.
登録日1998-09-07
公開日1999-09-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the sulfotransferase domain of human heparan sulfate N-deacetylase/ N-sulfotransferase 1.
J.Biol.Chem., 274, 1999
1EIT
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BU of 1eit by Molmil
NMR STUDY OF MU-AGATOXIN
分子名称: MU-AGATOXIN-I
著者Omecinsky, D.O, Reily, M.D.
登録日1995-12-14
公開日1996-04-03
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Three-dimensional structure analysis of mu-agatoxins: further evidence for common motifs among neurotoxins with diverse ion channel specificities.
Biochemistry, 35, 1996
4LVW
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BU of 4lvw by Molmil
Structure of the THF riboswitch bound to 7-deazaguanine
分子名称: 7-DEAZAGUANINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
著者Bale, J.B, Shen, B.W, Stoddard, B.L.
登録日2011-09-29
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
1RYQ
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BU of 1ryq by Molmil
Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001
分子名称: DNA-directed RNA polymerase, subunit e'', ZINC ION
著者Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2003-12-22
公開日2004-08-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
4WRN
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BU of 4wrn by Molmil
Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ...
著者Bokhove, M, De Sanctis, D, Jovine, L.
登録日2014-10-24
公開日2016-01-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
1JES
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BU of 1jes by Molmil
Crystal Structure of a Copper-Mediated Base Pair in DNA
分子名称: 5'-D(*CP*GP*CP*GP*(DPY)P*AP*TP*(DRP)P*CP*GP*CP*G)-3', COPPER (II) ION
著者Atwell, S, Meggers, E, Spraggon, G, Schultz, P.G.
登録日2001-06-18
公開日2001-11-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of a Copper-Mediated Base Pair in DNA
J.Am.Chem.Soc., 123, 2001
4LVX
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Structure of the THF riboswitch bound to tetrahydrobiopterin
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LVZ
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Structure of the THF riboswitch bound to 2,6-diaminopurine
分子名称: 9H-PURINE-2,6-DIAMINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LVY
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Structure of the THF riboswitch bound to pemetrexed
分子名称: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LVV
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Structure of the THF riboswitch
分子名称: N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LW0
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Structure of the THF riboswitch bound to adenine
分子名称: ADENINE, THF riboswitch
著者Trausch, J.J, Batey, R.T.
登録日2013-07-26
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
1VK1
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Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001
分子名称: Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-04-13
公開日2004-08-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献(NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
8U81
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KCTD5/Cullin3/Gbeta1gamma2 Complex: State A From Composite RELION Multi-body Refinement Map
分子名称: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
登録日2023-09-15
公開日2023-10-11
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024

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