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4I1Z
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BU of 4i1z by Molmil
Crystal structure of the monomeric (V948R) form of the gefitinib/erlotinib resistant EGFR kinase domain L858R+T790M
Descriptor: Epidermal growth factor receptor
Authors:Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A.
Deposit date:2012-11-21
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
2H14
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BU of 2h14 by Molmil
Crystal of WDR5 (apo-form)
Descriptor: WD-repeat protein 5
Authors:Couture, J.F, Collazo, E, Trievel, R.C.
Deposit date:2006-05-15
Release date:2006-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular recognition of histone H3 by the WD40 protein WDR5.
Nat.Struct.Mol.Biol., 13, 2006
3VBQ
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BU of 3vbq by Molmil
Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Descriptor: (5~{Z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, Serine/threonine-protein kinase pim-1
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
6GC7
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BU of 6gc7 by Molmil
50S ribosomal subunit assembly intermediate state 1
Descriptor: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Nikolay, R, Hilal, T, Qin, B, Loerke, J, Buerger, J, Mielke, T, Spahn, C.M.T.
Deposit date:2018-04-17
Release date:2018-06-20
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural Visualization of the Formation and Activation of the 50S Ribosomal Subunit during In Vitro Reconstitution.
Mol. Cell, 70, 2018
7W1R
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BU of 7w1r by Molmil
Crystal structure of human Suv3 monomer
Descriptor: ATP-dependent RNA helicase SUPV3L1, mitochondrial
Authors:Jain, M, Yuan, H.S.
Deposit date:2021-11-20
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dimeric assembly of human Suv3 helicase promotes its RNA unwinding function in mitochondrial RNA degradosome for RNA decay.
Protein Sci., 31, 2022
8D8I
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BU of 8d8i by Molmil
Crystal structure of Reverb alpha in complex with synthetic agonist
Descriptor: (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine, Nuclear receptor corepressor 1, Nuclear receptor subfamily 1 group D member 1
Authors:Ronin, C, Ciesielski, F, Hegazy, L, Burris, P.T.
Deposit date:2022-06-08
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis of synthetic agonist activation of the nuclear receptor REV-ERB.
Nat Commun, 13, 2022
5J8Y
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BU of 5j8y by Molmil
Crystal structure of the Scm-SAM and Sfmbt-SAM heterodimer
Descriptor: Polycomb protein Scm, Polycomb protein Sfmbt
Authors:Frey, F, Benda, C, Mueller, J.
Deposit date:2016-04-08
Release date:2016-05-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Molecular basis of PRC1 targeting to Polycomb response elements by PhoRC.
Genes Dev., 30, 2016
5Q04
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BU of 5q04 by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea
Descriptor: 4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide, Fructose-1,6-bisphosphatase 1
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-18
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromo-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea
To be published
5F9B
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BU of 5f9b by Molmil
X-ray crystal structure of PPARgamma in the complex with caulophyllogenin
Descriptor: Caulophyllogenin, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2015-12-09
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening of saponins and sapogenins from Medicago species as potential PPAR gamma agonists and X-ray structure of the complex PPAR gamma /caulophyllogenin.
Sci Rep, 6, 2016
6VZO
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BU of 6vzo by Molmil
Crystal structure of human PPARgamma ligand binding domain (Protein delipidated by denature and refold)
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZM
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BU of 6vzm by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant in complex with Darglitazone
Descriptor: (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZN
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BU of 6vzn by Molmil
Crystal structure of human PPARgamma ligand binding domain Y473E mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
6VZL
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BU of 6vzl by Molmil
Crystal structure of human PPARgamma ligand binding domain in complex with GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2020-02-28
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural mechanism underlying ligand binding and activation of PPAR gamma.
Structure, 29, 2021
1AII
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BU of 1aii by Molmil
ANNEXIN III
Descriptor: ANNEXIN III, CALCIUM ION, ETHANOLAMINE, ...
Authors:Lewit-Bentley, A, Perron, B.
Deposit date:1996-11-28
Release date:1997-03-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Can enzymatic activity, or otherwise, be inferred from structural studies of annexin III?
J.Biol.Chem., 272, 1997
3IUQ
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BU of 3iuq by Molmil
apPEP_D622N+PP closed state
Descriptor: GLYCEROL, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, Prolyl Endopeptidase
Authors:Chiu, T.K.
Deposit date:2009-08-31
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Induced-fit mechanism for prolyl endopeptidase
J.Biol.Chem., 285, 2010
5PZV
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BU of 5pzv by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromopyridin-2-yl)-3-(4-chlorophenyl)sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(4-bromopyridin-2-yl)carbamoyl]-4-chlorobenzene-1-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-11
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(4-bromopyridin-2-yl)-3-(4-chlorophenyl)sulfonylurea
To be published
5Q0A
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BU of 5q0a by Molmil
Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
Descriptor: Fructose-1,6-bisphosphatase 1, N-[(5-cyanopyrazin-2-yl)carbamoyl]-3-(difluoromethoxy)benzene-1-sulfonamide
Authors:Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K.
Deposit date:2017-04-11
Release date:2019-01-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
To be published
2AHP
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BU of 2ahp by Molmil
GCN4 leucine zipper, mutation of Lys15 to epsilon-azido-Lys
Descriptor: General control protein GCN4
Authors:Horne, W.S, Ghadiri, M.R.
Deposit date:2005-07-28
Release date:2006-08-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:GCN4 leucine zipper, mutation of Lys15 to epsilon-azido-Lys
To be Published
3TQN
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BU of 3tqn by Molmil
Structure of the transcriptional regulator of the GntR family, from Coxiella burnetii.
Descriptor: Transcriptional regulator, GntR family
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
2BZJ
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BU of 2bzj by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU3
Descriptor: PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RUTHENIUM-PYRIDOCARBAZOLE-3
Authors:Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
Deposit date:2005-08-18
Release date:2005-10-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands
To be Published
2BZK
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BU of 2bzk by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH AMPPNP AND PIMTIDE
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1
Authors:Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
Deposit date:2005-08-18
Release date:2005-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of the Human Pim1 in Complex with Amppnp and Pimtide
To be Published
2C3I
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BU of 2c3i by Molmil
CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I
Descriptor: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1
Authors:Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J.
Deposit date:2005-10-07
Release date:2005-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity.
Cancer Res., 67, 2007
2BZI
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BU of 2bzi by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PIM1 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU2
Descriptor: PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1, RU-PYRIDOCARBAZOLE-2
Authors:Debreczeni, J.E, Bullock, A, Knapp, S, von Delft, F, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A.
Deposit date:2005-08-18
Release date:2005-12-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Human Pim1 in Complex with Ruthenium Organometallic Ligands
To be Published
4KRT
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BU of 4krt by Molmil
X-ray structure of endolysin from clostridium perfringens phage phiSM101
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Autolytic lysozyme, ...
Authors:Kamitori, S, Yoshida, H.
Deposit date:2013-05-17
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:X-ray structure of a novel endolysin encoded by episomal phage phiSM101 of Clostridium perfringens.
Mol.Microbiol., 92, 2014
6S8F
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BU of 6s8f by Molmil
Structure of nucleotide-bound Tel1/ATM
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1,Serine/threonine-protein kinase TEL1
Authors:Yates, L.A, Williams, R.M, Ayala, R, Zhang, X.
Deposit date:2019-07-09
Release date:2019-10-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM Structure of Nucleotide-Bound Tel1ATMUnravels the Molecular Basis of Inhibition and Structural Rationale for Disease-Associated Mutations.
Structure, 28, 2020

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PDB entries from 2024-09-11

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