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2DHO
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BU of 2dho by Molmil
Crystal structure of human IPP isomerase I in space group P212121
分子名称: CHLORIDE ION, Isopentenyl-diphosphate delta-isomerase 1, MANGANESE (II) ION, ...
著者Zhang, C, Wei, Z, Gong, W.
登録日2006-03-24
公開日2007-06-05
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
J.Mol.Biol., 366, 2007
2UYI
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BU of 2uyi by Molmil
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33
分子名称: (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ...
著者Lee, T.T.
登録日2007-04-07
公開日2007-05-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2UYM
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BU of 2uym by Molmil
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 37
分子名称: ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, MAGNESIUM ION, ...
著者Lee, T.T.
登録日2007-04-10
公開日2007-05-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
分子名称: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
著者Wei, H, Zhou, A.
登録日2016-03-08
公開日2016-10-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
6V9T
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BU of 6v9t by Molmil
Tudor domain of TDRD3 in complex with a small molecule
分子名称: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION
著者Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2019-12-16
公開日2019-12-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.154 Å)
主引用文献A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
1F8Q
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BU of 1f8q by Molmil
CRYSTAL STRUCTURE OF ALPHA-MOMORCHARIN IN ACETONITRILE-WATER MIXTURE
分子名称: ACETONITRILE, ALPHA-MOMORCHARIN, PENTANEDIAL, ...
著者Zhu, G, Huang, Q, Qian, M, Tang, Y.
登録日2000-07-03
公開日2000-07-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of alpha-momorcharin in 80% acetonitrile--water mixture
BIOCHIM.BIOPHYS.ACTA, 1548, 2001
6VTW
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BU of 6vtw by Molmil
De novo protein design enables the precise induction of RSV-neutralizing antibodies
分子名称: 101F Fab Heavy Chain, 101F Fab Light Chain, S4_2.45
著者Jardetzky, T, Correia, B.
登録日2020-02-13
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
5DWR
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BU of 5dwr by Molmil
Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies
分子名称: N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1
著者Bellamacina, C, Bussiere, D, Burger, M.
登録日2015-09-22
公開日2015-11-11
最終更新日2015-11-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.
J.Med.Chem., 58, 2015
6QH9
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BU of 6qh9 by Molmil
Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A
分子名称: (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, GLYCEROL, ...
著者Thorpe, J.H.
登録日2019-01-16
公開日2019-02-06
最終更新日2019-02-27
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
6QFG
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BU of 6qfg by Molmil
Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144
分子名称: 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6
著者Thorpe, J.H.
登録日2019-01-10
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
5K00
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BU of 5k00 by Molmil
MELK in complex with NVS-MELK5
分子名称: 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase
著者Sprague, E.R.
登録日2016-05-17
公開日2017-03-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
7LFY
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BU of 7lfy by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFT
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BU of 7lft by Molmil
Cryo-EM structure of human Apo CNGA1 channel in K+/Ca2+
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, POTASSIUM ION, ...
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-18
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFX
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BU of 7lfx by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in Na+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LFW
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BU of 7lfw by Molmil
Cryo-EM structure of human cGMP-bound open CNGA1 channel in K+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-18
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7LG1
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BU of 7lg1 by Molmil
Cryo-EM structure of human cGMP-bound CNGA1_E365Q channel in Na+/Ca2+
分子名称: CALCIUM ION, CYCLIC GUANOSINE MONOPHOSPHATE, cGMP-gated cation channel alpha-1
著者Xue, J, Han, Y, Jiang, Y.
登録日2021-01-19
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
7WRJ
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BU of 7wrj by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-4637 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-4637H, BD55-4637L, ...
著者Du, S, Xiao, J.Y.
登録日2022-01-26
公開日2022-09-28
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (4.08 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7WRY
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BU of 7wry by Molmil
Local structure of BD55-3546 Fab and SARS-COV2 Delta RBD complex
分子名称: BD55-3546H, BD55-3546L, Spike protein S1, ...
著者Zhang, Z.Z, Xiao, J.J.
登録日2022-01-27
公開日2022-09-28
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
5CX3
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BU of 5cx3 by Molmil
Crystal structure of FYCO1 LIR in complex with LC3A
分子名称: FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Cheng, X, Pan, L.
登録日2015-07-28
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins.
Autophagy, 12, 2016
1HNY
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BU of 1hny by Molmil
The structure of human pancreatic alpha-amylase at 1.8 angstroms resolution and comparisons with related enzymes
分子名称: CALCIUM ION, CHLORIDE ION, HUMAN PANCREATIC ALPHA-AMYLASE
著者Luo, Y, Brayer, G.D.
登録日1995-06-28
公開日1996-03-08
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of human pancreatic alpha-amylase at 1.8 A resolution and comparisons with related enzymes.
Protein Sci., 4, 1995
4GG5
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BU of 4gg5 by Molmil
Crystal structure of CMET in complex with novel inhibitor
分子名称: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine, Hepatocyte growth factor receptor
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-05
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.423 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2JYF
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BU of 2jyf by Molmil
Tetraloop-receptor RNA complex
分子名称: RNA (43-MER)
著者Zuo, X, Wang, J, Foster, T.R, Schwieters, C.D, Tiede, D.M.
登録日2007-12-13
公開日2008-10-07
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Tetraloop-receptor RNA complex
To be Published
4GG7
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BU of 4gg7 by Molmil
Crystal structure of cMET in complex with novel inhibitor
分子名称: Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
著者Liu, Q.F, Chen, T.T, Xu, Y.C.
登録日2012-08-06
公開日2012-10-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6LOM
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BU of 6lom by Molmil
Structure of CLHM1 from Caenorhabditis Elegans
分子名称: Calcium homeostasis modulator protein
著者Yang, W.X, Wang, Y.W, Zhang, X.C.
登録日2020-01-06
公開日2020-07-29
最終更新日2020-08-05
実験手法ELECTRON MICROSCOPY (3.73 Å)
主引用文献Cryo-electron microscopy structure of CLHM1 ion channel from Caenorhabditis elegans.
Protein Sci., 29, 2020
8HGW
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BU of 8hgw by Molmil
Crystal structure of MehpH in complex with MBP
分子名称: 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID
著者Zhang, Z.M, Wang, Y.J, Chen, Y.B.
登録日2022-11-15
公開日2023-03-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.80001163 Å)
主引用文献Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase.
Commun Chem, 6, 2023

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