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2NMM
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Crystal structure of human phosphohistidine phosphatase. Northeast Structural Genomics Consortium target HR1409
Descriptor: 14 kDa phosphohistidine phosphatase, SULFATE ION
Authors:Kuzin, A.P, Abashidze, M, Forouhar, F, Seetharaman, J, Kent, C, Fang, Y, Cunningham, K, Conover, K, Ma, L.C, Xiao, R, Acton, T, Montelione, G, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-10-22
Release date:2007-01-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human phosphohistidine phosphatase. Northeast Structural Genomics Consortium target HR1409
To be Published
4FF8
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BU of 4ff8 by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
Descriptor: 4-(cyclopentylamino)-2-[(2-methoxybenzyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Tyrosine-protein kinase receptor TYRO3
Authors:Ohren, J.F, Powell, N.A, Kohrt, J, Perrin, L.A.
Deposit date:2012-05-31
Release date:2013-03-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.
Bioorg.Med.Chem.Lett., 23, 2013
4V3G
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BU of 4v3g by Molmil
Crystal structure of CymA from Klebsiella oxytoca
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN
Authors:van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
Deposit date:2014-10-18
Release date:2015-06-03
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (2.513 Å)
Cite:Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
3EDU
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BU of 3edu by Molmil
Crystal structure of the ankyrin-binding domain of human erythroid spectrin
Descriptor: Spectrin beta chain, erythrocyte
Authors:Simonovic, M, Stabach, P, Simonovic, I, Steitz, T.A, Morrow, J.S.
Deposit date:2008-09-03
Release date:2009-02-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of the ankyrin-binding site of {beta}-spectrin reveals how tandem spectrin-repeats generate unique ligand-binding properties
Blood, 113, 2009
4MHG
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BU of 4mhg by Molmil
Crystal structure of ETV6 bound to a specific DNA sequence
Descriptor: Complementary Specific 14 bp DNA, Specific 14 bp DNA, Transcription factor ETV6
Authors:Chan, A.C, De, S, Coyne III, H.J, Okon, M, Murphy, M.E, Graves, B.J, McIntosh, L.P.
Deposit date:2013-08-29
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Steric Mechanism of Auto-Inhibitory Regulation of Specific and Non-Specific DNA Binding by the ETS Transcriptional Repressor ETV6.
J.Mol.Biol., 426, 2014
1K83
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BU of 1k83 by Molmil
Crystal Structure of Yeast RNA Polymerase II Complexed with the Inhibitor Alpha Amanitin
Descriptor: ALPHA AMANITIN, DNA-DIRECTED RNA POLYMERASE II 13.6KD POLYPEPTIDE, DNA-DIRECTED RNA POLYMERASE II 14.2KD POLYPEPTIDE, ...
Authors:Bushnell, D.A, Cramer, P, Kornberg, R.D.
Deposit date:2001-10-22
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of Transcription: Alpha-Amanitin-RNA Polymerase II Cocrystal at 2.8 A Resolution.
Proc.Natl.Acad.Sci.USA, 99, 2002
2W0A
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BU of 2w0a by Molmil
CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE
Descriptor: CYTOCHROME P450 51, N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3, 2009
2W0B
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BU of 2w0b by Molmil
CYP51 OF M. TUBERCULOSIS BOUND TO AN INHIBITOR 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}PROPYL PYRIDIN-4-YLCARBAMATE
Descriptor: 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE
Authors:Podust, L.M.
Deposit date:2008-08-12
Release date:2009-01-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Trypanosoma cruzi CYP51 inhibitor derived from a Mycobacterium tuberculosis screen hit.
Plos Negl Trop Dis, 3, 2009
4W9K
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BU of 4w9k by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-((S)-2-acetamido-3-phenylpropanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 14)
Descriptor: N-acetyl-L-phenylalanyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
Authors:Gadd, M.S, Galdeano, C, van Molle, I, Ciulli, A.
Deposit date:2014-08-27
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4V3H
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BU of 4v3h by Molmil
Crystal structure of CymA from Klebsiella oxytoca
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CYMA PROTEIN, NITRATE ION
Authors:van den Berg, B, Bhamidimarri, S.P, Kleinekathoefer, U, Winterhalter, M.
Deposit date:2014-10-18
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Outer-membrane translocation of bulky small molecules by passive diffusion.
Proc. Natl. Acad. Sci. U.S.A., 112, 2015
1Y1W
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BU of 1y1w by Molmil
Complete RNA Polymerase II elongation complex
Descriptor: 5'-D(*AP*AP*GP*TP*AP*CP*T)-3', 5'-D(P*AP*GP*TP*AP*CP*TP*TP*AP*CP*GP*CP*CP*TP*GP*GP*TP*CP*AP*T)-3', 5'-R(*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ...
Authors:Cramer, P, Kettenberger, H, Armache, K.-J.
Deposit date:2004-11-19
Release date:2005-01-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Complete RNA Polymerase II Elongation Complex Structure and Its Interactions with NTP and TFIIS
Mol.Cell, 16, 2004
1Y1V
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BU of 1y1v by Molmil
Refined RNA Polymerase II-TFIIS complex
Descriptor: DNA-directed RNA polymerase II 13.6 kDa polypeptide, DNA-directed RNA polymerase II 140 kDa polypeptide, DNA-directed RNA polymerase II 19 kDa polypeptide, ...
Authors:Kettenberger, H, Armache, K.-J, Cramer, P.
Deposit date:2004-11-19
Release date:2004-12-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Complete RNA polymerase II elongation complex structure and its interactions with NTP and TFIIS.
Mol.Cell, 16, 2004
5VOY
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BU of 5voy by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 2)
Descriptor: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
7SUK
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BU of 7suk by Molmil
Structure of Bfr2-Lcp5 Complex Observed in the Small Subunit Processome Isolated from R2TP-depleted Yeast Cells
Descriptor: 18S pre-rRNA, 40S ribosomal protein S11-A, 40S ribosomal protein S13, ...
Authors:Rai, J, Zhao, Y, Li, H.
Deposit date:2021-11-17
Release date:2022-07-06
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Artificial intelligence-assisted cryoEM structure of Bfr2-Lcp5 complex observed in the yeast small subunit processome.
Commun Biol, 5, 2022
5M32
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BU of 5m32 by Molmil
Human 26S proteasome in complex with Oprozomib
Descriptor: 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ...
Authors:Haselbach, D, Schrader, J, Lambrecht, F, Henneberg, F, Chari, A, Stark, H.
Deposit date:2016-10-14
Release date:2017-07-05
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Long-range allosteric regulation of the human 26S proteasome by 20S proteasome-targeting cancer drugs.
Nat Commun, 8, 2017
5W0C
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BU of 5w0c by Molmil
Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex
Descriptor: Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, E.F, Hsu, M.-H.
Deposit date:2017-05-30
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
1Y5C
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BU of 1y5c by Molmil
The structure of a lactoferricinB derivative bound to micelles (LfcinB4-14)
Descriptor: Lactotransferrin
Authors:Nguyen, L.T, Schibli, D.J, Vogel, H.J.
Deposit date:2004-12-02
Release date:2005-03-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural studies and model membrane interactions of two peptides derived from bovine lactoferricin
J.Pept.Sci., 11, 2005
1YIJ
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BU of 1yij by Molmil
Crystal Structure Of Telithromycin Bound To The G2099A Mutant 50S Ribosomal Subunit Of Haloarcula Marismortui
Descriptor: 23S Ribosomal RNA, 50S RIBOSOMAL PROTEIN L10E, 50S RIBOSOMAL PROTEIN L11P, ...
Authors:Tu, D, Blaha, G, Moore, P.B, Steitz, T.A.
Deposit date:2005-01-12
Release date:2005-04-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of MLSBK antibiotics bound to mutated large ribosomal subunits provide a structural explanation for resistance.
Cell(Cambridge,Mass.), 121, 2005
6ZIY
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BU of 6ziy by Molmil
Respiratory complex I from Thermus thermophilus, NADH dataset, major state
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A.
Deposit date:2020-06-26
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (4.25 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
6ZJL
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BU of 6zjl by Molmil
Respiratory complex I from Thermus thermophilus, NAD+ dataset, major state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A.
Deposit date:2020-06-29
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
7O6Y
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BU of 7o6y by Molmil
Cryo-EM structure of respiratory complex I under turnover
Descriptor: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Parey, K, Vonck, J.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism.
Sci Adv, 7, 2021
4DNK
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BU of 4dnk by Molmil
Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, beta polypeptide (YWHAB) from homo sapiens at 2.20 A resolution.
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein beta/alpha, PHOSPHATE ION
Authors:Joint Center for Structural Genomics (JCSG), Partnership for T-Cell Biology (TCELL)
Deposit date:2012-02-08
Release date:2012-02-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, beta polypeptide (YWHAQ) from Homo sapiens at 2.20 A resolution
To be published
4LOP
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BU of 4lop by Molmil
Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form)
Descriptor: 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, L(+)-TARTARIC ACID, ...
Authors:Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-07-13
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.049 Å)
Cite:Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1.
Nat.Struct.Mol.Biol., 20, 2013
6ZJN
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BU of 6zjn by Molmil
Respiratory complex I from Thermus thermophilus, NADH dataset, minor state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ...
Authors:Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A.
Deposit date:2020-06-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
6ZJY
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BU of 6zjy by Molmil
Respiratory complex I from Thermus thermophilus, NAD+ dataset, minor state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, NADH-quinone oxidoreductase subunit 1, ...
Authors:Kaszuba, K, Tambalo, M, Gallagher, G.T, Sazanov, L.A.
Deposit date:2020-06-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020

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