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4KNB
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BU of 4knb by Molmil
C-Met in complex with OSI ligand
Descriptor: 7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]furo[3,2-c]pyridin-6-amine, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
Authors:Wang, J, Steinig, A.G, Li, A.H, Chen, X, Dong, H, Ferraro, C, Jin, M, Kadalbajoo, M, Kleinberg, A, Stolz, K.M, Tavares-Greco, P.A, Wang, T, Albertella, M.R, Peng, Y, Crew, L, Kahler, J.
Deposit date:2013-05-09
Release date:2014-04-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.
Bioorg.Med.Chem.Lett., 23, 2013
4KRI
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BU of 4kri by Molmil
Haemonchus contortus Phospholethanolamine N-methyltransferase 2 in complex with phosphomonomethylethanolamine and S-adenosylhomocysteine
Descriptor: 2-(methylamino)ethyl dihydrogen phosphate, Phospholethanolamine N-methyltransferase 2, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Lee, S.G, Jez, J.M.
Deposit date:2013-05-16
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Evolution of structure and mechanistic divergence in di-domain methyltransferases from nematode phosphocholine biosynthesis.
Structure, 21, 2013
4UUN
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BU of 4uun by Molmil
Trichomonas vaginalis lactate dehydrogenase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-LACTATE DEHYDROGENASE
Authors:Steindel, P.A, Chen, E.H, Theobald, D.L.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
5HKV
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BU of 5hkv by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lincomycin
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23s ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Yonath, A, Matzov, D, Eyal, Z, Ben Hamou, R, Zimmerman, E, Rozenberg, H, Bashan, A, Fridman, M.
Deposit date:2016-01-14
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Structural insights of lincosamides targeting the ribosome of Staphylococcus aureus.
Nucleic Acids Res., 45, 2017
4KRG
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BU of 4krg by Molmil
SeMet Haemonchus contortus Phosphoethanolamine N-methyltransferase 1 in complex with phosphoethanolamine and S-adenosylhomocysteine
Descriptor: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, Phosphoethanolamine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Lee, S.G, Jez, J.M.
Deposit date:2013-05-16
Release date:2013-09-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Evolution of structure and mechanistic divergence in di-domain methyltransferases from nematode phosphocholine biosynthesis.
Structure, 21, 2013
5HX6
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BU of 5hx6 by Molmil
Crystal structure of RIP1 kinase with a benzo[b][1,4]oxazepin-4-one
Descriptor: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1
Authors:Campobasso, N, Ward, P.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
4KJS
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BU of 4kjs by Molmil
Structure of native YfkE
Descriptor: cation exchanger YfkE
Authors:Wu, M, Tong, S, Zheng, L.
Deposit date:2013-05-03
Release date:2013-06-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation.
Proc.Natl.Acad.Sci.USA, 110, 2013
7O7G
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BU of 7o7g by Molmil
Crystal structure of the Shewanella oneidensis MR1 MtrC mutant H561M
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Edwards, M.J, van Wonderen, J.H, Newton-Payne, S.E, Butt, J.N, Clarke, T.A.
Deposit date:2021-04-13
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nanosecond heme-to-heme electron transfer rates in a multiheme cytochrome nanowire reported by a spectrally unique His/Met-ligated heme.
Proc.Natl.Acad.Sci.USA, 118, 2021
4V6I
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BU of 4v6i by Molmil
Localization of the small subunit ribosomal proteins into a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome
Descriptor: 18S rRNA, 25S rRNA, 40S ribosomal protein RACK1 (RACK1), ...
Authors:Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R.
Deposit date:2010-10-12
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution.
Proc.Natl.Acad.Sci.USA, 107, 2010
4KJR
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BU of 4kjr by Molmil
Crystal structure of selenium substituted Ca2+/H+ antiporter proteinYfkE
Descriptor: cation exchanger YfkE
Authors:Wu, M, Tong, S, Zheng, L.
Deposit date:2013-05-03
Release date:2013-07-03
Last modified:2013-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation.
Proc.Natl.Acad.Sci.USA, 110, 2013
5HUY
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BU of 5huy by Molmil
Structure of HCMV Small Terminase NLS bound to importin alpha
Descriptor: HCMV small terminase, Importin subunit alpha-1
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2016-01-28
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Divergent Evolution of Nuclear Localization Signal Sequences in Herpesvirus Terminase Subunits.
J.Biol.Chem., 291, 2016
4KRH
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BU of 4krh by Molmil
SeMet Haemonchus contortus Phosphoethanolamine N-methyltransferase 2 in complex with S-adenosyl-L-methionine
Descriptor: Phosphoethanolamine N-methyltransferase 2, S-ADENOSYLMETHIONINE
Authors:Lee, S.G, Jez, J.M.
Deposit date:2013-05-16
Release date:2013-09-25
Last modified:2013-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evolution of structure and mechanistic divergence in di-domain methyltransferases from nematode phosphocholine biosynthesis.
Structure, 21, 2013
5HUW
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BU of 5huw by Molmil
Structure of HSV-1 Large Terminase NLS bound to importin alpha
Descriptor: HSV1 large terminase NLS, Importin subunit alpha-1
Authors:Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
Deposit date:2016-01-27
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Divergent Evolution of Nuclear Localization Signal Sequences in Herpesvirus Terminase Subunits.
J.Biol.Chem., 291, 2016
4UQT
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BU of 4uqt by Molmil
RRM-peptide structure in RES complex
Descriptor: PRE-MRNA-SPLICING FACTOR CWC26, U2 SNRNP COMPONENT IST3
Authors:Tripsianes, K, Friberg, A, Barrandon, C, Seraphin, B, Sattler, M.
Deposit date:2014-06-25
Release date:2014-09-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Novel Protein-Protein Interaction in the Res (Retention and Splicing) Complex.
J.Biol.Chem., 289, 2014
4KA7
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BU of 4ka7 by Molmil
Structure of Organellar OligoPeptidase (E572Q) in complex with an endogenous substrate
Descriptor: CHLORIDE ION, GLYCEROL, Oligopeptidase A, ...
Authors:Berntsson, R.P.-A, Kmiec, B, Teixeira, P.F, Svensson, L.M, Bakali, A, Glaser, E, Stenmark, P.
Deposit date:2013-04-22
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts.
Proc. Natl. Acad. Sci. U.S.A., 110, 2013
5HY8
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BU of 5hy8 by Molmil
Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Saraswathi, N.T, Pannu, N.S, Syakhovich, V.E, Saurabh, A, Bokut, S.B, Moras, D, Ruff, M.
Deposit date:2016-02-01
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycation restrains allosteric transition in hemoglobin: The molecular basis of oxidative stress under hyperglycemic conditions in diabetes
To Be Published
8H5B
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BU of 8h5b by Molmil
The cryo-EM structure of nuclear transport receptor Kap114p complex with yeast TATA-box binding protein
Descriptor: Importin subunit beta-5, TATA-box-binding protein
Authors:Hsia, K.C, Liao, C.C, Wang, C.H, Wu, Y.M.
Deposit date:2022-10-12
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structural convergence endows nuclear transport receptor Kap114p with a transcriptional repressor function toward TATA-binding protein.
Nat Commun, 14, 2023
4UUO
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BU of 4uuo by Molmil
Apo Trichomonas vaginalis malate dehydrogenase
Descriptor: CYTOSOLIC MALATE DEHYDROGENASE
Authors:Steindel, P.A, Chen, E.H, Theobald, D.L.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
4K8Y
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BU of 4k8y by Molmil
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with Sunflower Trypsin Inhibitor (SFTI-1)
Descriptor: Kallikrein-4, Trypsin inhibitor 1
Authors:Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
Deposit date:2013-04-19
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
4KED
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BU of 4ked by Molmil
Crystal Structure of Cofilin Mutant (cof1-157p)
Descriptor: Cofilin
Authors:Kish-Trier, E, Haarer, B, Cingolani, G, Amberg, D.C.
Deposit date:2013-04-25
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Crystal Structure of Cofilin Mutant (cof1-157p)
To be Published
4KEL
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BU of 4kel by Molmil
Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N)
Descriptor: Kallikrein-4, Trypsin inhibitor 1
Authors:Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
Deposit date:2013-04-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.148 Å)
Cite:KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
7NR1
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BU of 7nr1 by Molmil
Crystal structure of holo-S116A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Descriptor: HpcH/HpaI aldolase, MAGNESIUM ION
Authors:Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-03-02
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7NUJ
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BU of 7nuj by Molmil
Crystal structure of holo-SwHPA-Mg (hydroxy ketone aldolase) from Sphingomonas wittichii RW1
Descriptor: HpcH/HpaI aldolase, MAGNESIUM ION
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-03-12
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7O5R
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BU of 7o5r by Molmil
Crystal structure of holo-SwHPA-Mn (hydroxyketoacid aldolase) from Sphingomonas wittichii RW1
Descriptor: BROMIDE ION, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-09
Release date:2022-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022
7O9R
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BU of 7o9r by Molmil
Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
Descriptor: BROMIDE ION, DI(HYDROXYETHYL)ETHER, HpcH/HpaI aldolase, ...
Authors:Laustsen, J, Justo, I, Marsden, S.R, Hanefeld, U, Bento, I.
Deposit date:2021-04-16
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate Induced Movement of the Metal Cofactor between Active and Resting State.
Angew.Chem.Int.Ed.Engl., 61, 2022

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