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5XTF
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BU of 5xtf by Molmil
Crystal structure of the cis-dihydrodiol naphthalene dehydrogenase NahB from Pseudomonas sp. MC1
Descriptor: 2,3-dihydroxy-2,3-dihydrophenylpropionate dehydrogenase
Authors:Park, A.K, Kim, H.-W.
Deposit date:2017-06-19
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Crystal structure of cis-dihydrodiol naphthalene dehydrogenase (NahB) from Pseudomonas sp. MC1: Insights into the early binding process of the substrate
Biochem. Biophys. Res. Commun., 491, 2017
8HTG
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BU of 8htg by Molmil
Crystal structure of Golf in complex with GTP-gamma S and Mg
Descriptor: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Guanine nucleotide-binding protein G(olf) subunit alpha, ...
Authors:Kang, H, Choi, H.-J.
Deposit date:2022-12-21
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
Descriptor: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
Authors:Stoddard, B.L, Doyle, L.A.
Deposit date:2016-02-25
Release date:2017-03-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5WDH
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BU of 5wdh by Molmil
Motor domain of human kinesin family member C1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5KG8
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BU of 5kg8 by Molmil
Rigor myosin X co-complexed with an actin filament
Descriptor: Actin, alpha skeletal muscle, Unconventional myosin-X
Authors:Sindelar, C.V, Houdusse, A, Sweeney, L.
Deposit date:2016-06-12
Release date:2016-09-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
3KCX
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BU of 3kcx by Molmil
Factor inhibiting HIF-1 alpha in complex with Clioquinol
Descriptor: 5-chloro-7-iodoquinolin-8-ol, FE (II) ION, GLYCEROL, ...
Authors:Moon, H, Han, S, Choe, J.
Deposit date:2009-10-22
Release date:2010-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
3KCY
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BU of 3kcy by Molmil
Factor inhibiting HIF-1 alpha in complex with 8-hydroxyquinoline
Descriptor: FE (II) ION, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Moon, H, Han, S, Choe, J.
Deposit date:2009-10-22
Release date:2010-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structures of human FIH-1 in complex with quinol family inhibitors
Mol.Cells, 29, 2010
3CPF
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BU of 3cpf by Molmil
Crystal structure of human eukaryotic translation initiation factor EIF5A
Descriptor: Eukaryotic translation initiation factor 5A-1, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tong, Y, Tempel, W, Hong, B, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-03-31
Release date:2008-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human eIF5A1: insight into functional similarity of human eIF5A1 and eIF5A2.
Proteins, 75, 2009
8HTI
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BU of 8hti by Molmil
Human Consensus Olfactory Receptor OR52c in Complex with Octanoic Acid (OCA) and G Protein
Descriptor: Consensus Olfactory Receptor OR52c, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Choi, C.W, Bae, J, Choi, H.-J, Kim, J.
Deposit date:2022-12-21
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Understanding the molecular mechanisms of odorant binding and activation of the human OR52 family.
Nat Commun, 14, 2023
4EZA
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BU of 4eza by Molmil
Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2
Descriptor: Ras GTPase-activating-like protein IQGAP2
Authors:Van Aalten, D.M.F, Dixon, M.J, Gray, A, Schenning, M, Agacan, M, Leslie, N.R, Downes, C.P, Batty, I.H, Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-05-02
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold.
J.Biol.Chem., 287, 2012
4FK7
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BU of 4fk7 by Molmil
Crystal structure of Certhrax catalytic domain
Descriptor: CHLORIDE ION, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE, Putative ADP-ribosyltransferase Certhrax, ...
Authors:Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-12
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
6VTX
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BU of 6vtx by Molmil
Crystal structure of human KLF4 zinc finger DNA binding domain in complex with NANOG DNA
Descriptor: DNA (5'-D(*AP*GP*GP*GP*GP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*CP*AP*CP*AP*CP*CP*CP*CP*CP*T)-3'), Krueppel-like factor 4, ...
Authors:Sharma, R, Sharma, S, Choi, K.J, Ferreon, A.C.M, Ferreon, J.C, Sankaran, B, MacKenzie, K.R, Kim, C.
Deposit date:2020-02-13
Release date:2021-09-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Liquid condensation of reprogramming factor KLF4 with DNA provides a mechanism for chromatin organization.
Nat Commun, 12, 2021
4IKC
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BU of 4ikc by Molmil
Crystal Structure of catalytic domain of PTPRQ
Descriptor: CHLORIDE ION, Phosphotidylinositol phosphatase PTPRQ, SULFATE ION
Authors:Yu, K.R, Ryu, S.E, Kim, S.J.
Deposit date:2012-12-26
Release date:2013-07-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for the dephosphorylating activity of PTPRQ towards phosphatidylinositide substrates
Acta Crystallogr.,Sect.D, 69, 2013
5H3H
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BU of 5h3h by Molmil
Esterase (EaEST) from Exiguobacterium antarcticum
Descriptor: Abhydrolase domain-containing protein, ETHANEPEROXOIC ACID
Authors:Lee, J.H, Lee, C.W.
Deposit date:2016-10-24
Release date:2017-01-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure and Functional Characterization of an Esterase (EaEST) from Exiguobacterium antarcticum.
Plos One, 12, 2017
5H1Z
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BU of 5h1z by Molmil
CYP153D17 from Sphingomonas sp. PAMC 26605
Descriptor: DODECANE, PROTOPORPHYRIN IX CONTAINING FE, putative CYP alkane hydroxylase CYP153D17
Authors:Lee, C.W, Lee, J.H.
Deposit date:2016-10-13
Release date:2017-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of a Putative Cytochrome P450 Alkane Hydroxylase (CYP153D17) from Sphingomonas sp. PAMC 26605 and Its Conformational Substrate Binding
Int J Mol Sci, 17, 2016
5BY2
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BU of 5by2 by Molmil
Sedoheptulose 7-phosphate isomerase from Colwellia psychrerythraea strain 34H
Descriptor: Phosphoheptose isomerase
Authors:Lee, J.H, Chang, J.H, Do, H, Yun, J.S.
Deposit date:2015-06-10
Release date:2015-12-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure and Comparative Sequence Analysis of GmhA from Colwellia psychrerythraea Strain 34H Provides Insight into Functional Similarity with DiaA
Mol.Cells, 38, 2015
5WDE
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BU of 5wde by Molmil
Crystal structure of the KIFC3 motor domain in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC3, MAGNESIUM ION, ...
Authors:Shen, Y, Tempel, W, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
7WI1
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BU of 7wi1 by Molmil
The mutant variant of PNGM-1, H93 was substituuted for alanine to study metal coordination
Descriptor: Metallo-beta-lactamase PNGM-1, ZINC ION
Authors:Park, Y.S, Kang, L.W, Lee, J.H.
Deposit date:2022-01-01
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural Study of Metal Binding and Coordination in Ancient Metallo-beta-Lactamase PNGM-1 Variants.
Int J Mol Sci, 21, 2020
4GF1
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BU of 4gf1 by Molmil
Crystal Structure of Certhrax
Descriptor: Putative ADP-ribosyltransferase Certhrax, UNKNOWN ATOM OR ION
Authors:Hong, B.S, Dimov, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2012-08-02
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Certhrax Toxin, an Anthrax-related ADP-ribosyltransferase from Bacillus cereus.
J.Biol.Chem., 287, 2012
5XGW
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BU of 5xgw by Molmil
Isoaspartyl dipeptidase from Colwellia psychrerythraea strain 34H
Descriptor: Isoaspartyl dipeptidase, ZINC ION
Authors:Lee, J.H, Lee, C.W, Park, S.H.
Deposit date:2017-04-18
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and functional characterization of an isoaspartyl dipeptidase (CpsIadA) from Colwellia psychrerythraea strain 34H.
PLoS ONE, 12, 2017
5XGX
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BU of 5xgx by Molmil
Crystal structure of colwellia psychrerythraea strain 34H isoaspartyl dipeptidase E80Q mutant complexed with beta-isoaspartyl lysine
Descriptor: D-ASPARTIC ACID, D-LYSINE, Isoaspartyl dipeptidase, ...
Authors:Lee, J.H, Lee, C.W, Park, S.H.
Deposit date:2017-04-18
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure and functional characterization of an isoaspartyl dipeptidase (CpsIadA) from Colwellia psychrerythraea strain 34H.
PLoS ONE, 12, 2017
4PTC
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BU of 4ptc by Molmil
Structure of a carboxamide compound (3) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-OXO-4H-1LAMBDA~4~,3-THIAZOLE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-[2-(cyclopropylcarbonylamino)pyridin-4-yl]-4-methoxy-1,3-thiazole-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTE
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BU of 4pte by Molmil
Structure of a carvoxamide compound (15) (N-[4-(ISOQUINOLIN-7-YL)PYRIDIN-2-YL]CYCLOPROPANECARBOXAMIDE) to GSK3b
Descriptor: Glycogen synthase kinase-3 beta, N-[4-(isoquinolin-7-yl)pyridin-2-yl]cyclopropanecarboxamide
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
4PTG
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BU of 4ptg by Molmil
Structure of a carboxamine compound (26) (2-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}-4-METHOXYPYRIMIDINE-5-CARBOXAMIDE) to GSK3b
Descriptor: 2-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}-4-methoxypyrimidine-5-carboxamide, Glycogen synthase kinase-3 beta
Authors:Lewis, H.A, Sivaprakasam, P, Kish, K, Pokross, M, Dubowchik, G.M.
Deposit date:2014-03-10
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.361 Å)
Cite:Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core.
Bioorg.Med.Chem.Lett., 25, 2015
5ENM
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BU of 5enm by Molmil
Compound 10
Descriptor: (2~{R},4~{S},6~{S})-4-[2,4-bis(fluoranyl)-5-pyrimidin-5-yl-phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazinan-2-amine, Beta-secretase 1, GLYCEROL, ...
Authors:Lewis, H.A.
Deposit date:2015-11-09
Release date:2016-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Targeting the BACE1 Active Site Flap Leads to a Potent Inhibitor That Elicits Robust Brain A beta Reduction in Rodents.
Acs Med.Chem.Lett., 7, 2016

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数据于2024-05-29公开中

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