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1KMQ
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BU of 1kmq by Molmil
Crystal Structure of a Constitutively Activated RhoA Mutant (Q63L)
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Longenecker, K, Read, P, Lin, S.-K, Somlyo, A.P, Nakamoto, R.K, Derewenda, Z.S.
Deposit date:2001-12-17
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of a constitutively activated RhoA mutant (Q63L) at 1.55 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
4PV5
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BU of 4pv5 by Molmil
Crystal structure of mouse glyoxalase I in complexed with 18-beta-glycyrrhetinic acid
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Lactoylglutathione lyase, ZINC ION
Authors:Zhang, H, Zhai, J, Zhang, L.P, Zhao, Y.N, Li, C, Hu, X.P.
Deposit date:2014-03-15
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for 18-beta-glycyrrhetinic acid as a novel non-GSH analog glyoxalase I inhibitor
Acta Pharmacol.Sin., 36, 2015
4QH7
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BU of 4qh7 by Molmil
LC8 - Ana2 (159-168) Complex
Descriptor: Anastral spindle 2, Dynein light chain 1, cytoplasmic
Authors:Slevin, L.K, Romes, E.R, Slep, K.C.
Deposit date:2014-05-27
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:The Mechanism of Dynein Light Chain LC8-mediated Oligomerization of the Ana2 Centriole Duplication Factor.
J.Biol.Chem., 289, 2014
1LB1
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BU of 1lb1 by Molmil
Crystal Structure of the Dbl and Pleckstrin homology domains of Dbs in complex with RhoA
Descriptor: Guanine nucleotide exchange factor DBS, Transforming protein RhoA
Authors:Snyder, J.T, Worthylake, D.K, Rossman, K.L, Betts, L, Pruitt, W.M, Siderovski, D.P, Der, C.J, Sondek, J.
Deposit date:2002-04-01
Release date:2002-05-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural basis for the selective activation of Rho GTPases by Dbl exchange factors.
Nat.Struct.Biol., 9, 2002
4ARZ
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BU of 4arz by Molmil
The crystal structure of Gtr1p-Gtr2p complexed with GTP-GDP
Descriptor: GTP-BINDING PROTEIN GTR1, GTP-BINDING PROTEIN GTR2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Jeong, J.H, Kim, Y.G.
Deposit date:2012-04-27
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structure of the Gtr1Pgtp-Gtr2Pgdp Complex Reveals Large Structural Rearrangements Triggered by GTP-to-Gdp Conversion
J.Biol.Chem., 287, 2012
1FTN
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BU of 1ftn by Molmil
CRYSTAL STRUCTURE OF THE HUMAN RHOA/GDP COMPLEX
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA (H12)
Authors:Wei, Y, Zhang, Y, Derewenda, U, Liu, X, Minor, W, Nakamoto, R.K, Somlyo, A.V, Somlyo, A.P, Derewenda, Z.S.
Deposit date:1997-03-13
Release date:1998-03-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of RhoA-GDP and its functional implications.
Nat.Struct.Biol., 4, 1997
7PT7
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BU of 7pt7 by Molmil
Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ADP:BeF3, state I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Cell division control protein 7, ...
Authors:Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C.
Deposit date:2021-09-26
Release date:2022-06-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Nat Commun, 13, 2022
7PT6
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BU of 7pt6 by Molmil
Structure of MCM2-7 DH complexed with Cdc7-Dbf4 in the presence of ATPgS, state III
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 7, DDK kinase regulatory subunit DBF4, ...
Authors:Saleh, A, Noguchi, Y, Aramayo, R, Ivanova, M.E, Speck, C.
Deposit date:2021-09-26
Release date:2022-06-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Nat Commun, 13, 2022
7PPH
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BU of 7pph by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10
Descriptor: GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
3FJK
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BU of 3fjk by Molmil
Crystal structure of A66C mutant of Human acidic fibroblast growth factor
Descriptor: FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION
Authors:Blaber, M, Lee, J.
Deposit date:2008-12-14
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of conserved cysteine in the fibroblast growth factor family: evidence for a vestigial half-cystine.
J.Mol.Biol., 393, 2009
7PPI
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BU of 7ppi by Molmil
Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11
Descriptor: CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPE
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BU of 7ppe by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1
Descriptor: GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPF
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BU of 7ppf by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8
Descriptor: 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
2KZ5
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BU of 2kz5 by Molmil
Solution NMR Structure of Transcription factor NF-E2 subunit's DNA binding domain from Homo sapiens, Northeast Structural Genomics Consortium Target HR4653B
Descriptor: Transcription factor NF-E2 45 kDa subunit
Authors:Liu, G, Janjua, H, Xiao, R, Ciccosanti, C, Shastry, R, Acton, T.B, Tong, S, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-11
Release date:2010-07-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target HR4653B
To be Published
7PPG
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BU of 7ppg by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9
Descriptor: 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7KXT
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BU of 7kxt by Molmil
Crystal structure of human EED
Descriptor: 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-12-04
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
7POZ
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BU of 7poz by Molmil
Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Histone deacetylase 8, ...
Authors:Saccoccia, F, Ruberti, G.
Deposit date:2021-09-10
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7O07
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BU of 7o07 by Molmil
14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction)
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, Transcriptional coactivator YAP1
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2021-03-25
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Covalent flexible peptide docking in Rosetta.
Chem Sci, 12, 2021
5CL1
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BU of 5cl1 by Molmil
Complex structure of Norrin with human Frizzled 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Maltose-binding periplasmic protein,Norrin
Authors:Wang, Z, Ke, J, Shen, G, Cheng, Z, Xu, H.E, Xu, W.
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
7VIG
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BU of 7vig by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307
Descriptor: 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, 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:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIE
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BU of 7vie by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with S1P
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 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:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIF
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BU of 7vif by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with (S)-FTY720-P
Descriptor: (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, 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:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VIH
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BU of 7vih by Molmil
Cryo-EM structure of Gi coupled Sphingosine 1-phosphate receptor bound with CBP-307
Descriptor: 1-[[2-fluoranyl-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid, 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:Yu, L.Y, Gan, B, Xiao, Q.J, Ren, R.B.
Deposit date:2021-09-26
Release date:2022-09-28
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into sphingosine-1-phosphate receptor activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7O7K
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BU of 7o7k by Molmil
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Kaltheuner, I.H, Anand, K, Geyer, M.
Deposit date:2021-04-13
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021
7O7I
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BU of 7o7i by Molmil
Crystal structure of the human HIPK3 kinase domain
Descriptor: 1,2-ETHANEDIOL, Homeodomain-interacting protein kinase 3
Authors:Kaltheuner, I.H, Anand, K, Geyer, M.
Deposit date:2021-04-13
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Abemaciclib is a potent inhibitor of DYRK1A and HIP kinases involved in transcriptional regulation.
Nat Commun, 12, 2021

223532

PDB entries from 2024-08-07

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