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4ZPR
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BU of 4zpr by Molmil
Crystal Structure of the Heterodimeric HIF-1a:ARNT Complex with HRE DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ...
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-08
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.902 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
6HZI
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BU of 6hzi by Molmil
Apo structure of TP domain from Burkholderia pseudomallei penicillin-binding protein 3
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G.
Deposit date:2018-10-23
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Apo structure of TP domain from Burkholderia pseudomallei penicillin-binding protein 3
To Be Published
6XPG
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BU of 6xpg by Molmil
Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
Descriptor: Lysophospholipase L1
Authors:Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2020-07-08
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
To Be Published
6I02
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BU of 6i02 by Molmil
Structure of human D-glucuronyl C5 epimerase in complex with product
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Debarnot, C, Monneau, Y.R, Roig-Zamboni, V, Le Narvor, C, Goulet, A, Fadel, F, Vives, R.R, Bonnaffe, D, Lortat-Jacob, H, Bourne, Y.
Deposit date:2018-10-24
Release date:2019-04-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase.
Proc.Natl.Acad.Sci.USA, 116, 2019
4ZIF
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BU of 4zif by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini
Descriptor: Apoptosis regulator BAX, Bcl-2-like protein 11
Authors:Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
Deposit date:2015-04-28
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZIL
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BU of 4zil by Molmil
Crystal structure of Rv2466c and oxidoreductase from Mycobacterium tuberculosis in its reduced state
Descriptor: DSBA oxidoreductase, MAGNESIUM ION
Authors:Albesa-Jove, D, Urresti, S, Comino, N, Tersa, M, Guerin, M.E.
Deposit date:2015-04-28
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.507 Å)
Cite:The Redox State Regulates the Conformation of Rv2466c to Activate the Antitubercular Prodrug TP053.
J.Biol.Chem., 290, 2015
1HOV
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BU of 1hov by Molmil
SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020
Descriptor: CALCIUM ION, MATRIX METALLOPROTEINASE-2, N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE, ...
Authors:Feng, Y, Likos, J.J, Zhu, L, Woodward, H, Munie, G, McDonald, J.J, Stevens, A.M, Howard, C.P, De Crescenzo, G.A, Welsch, D, Shieh, H.-S, Stallings, W.C.
Deposit date:2000-12-11
Release date:2001-12-12
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure and backbone dynamics of the catalytic domain of matrix metalloproteinase-2 complexed with a hydroxamic acid inhibitor
Biochim.Biophys.Acta, 1598, 2002
6XV7
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BU of 6xv7 by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
4ZO3
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BU of 4zo3 by Molmil
AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine
Descriptor: Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION
Authors:Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
Deposit date:2015-05-05
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
1HRF
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BU of 1hrf by Molmil
SOLUTION STRUCTURE OF THE EPIDERMAL GROWTH FACTOR-LIKE DOMAIN OF HEREGULIN-ALPHA, A LIGAND FOR P180ERB4
Descriptor: HEREGULIN ALPHA
Authors:Nagata, K, Kohda, D, Hatanaka, H, Ichikawa, S, Inagaki, F.
Deposit date:1994-07-21
Release date:1994-10-15
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of the epidermal growth factor-like domain of heregulin-alpha, a ligand for p180erbB-4.
EMBO J., 13, 1994
4ZOG
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BU of 4zog by Molmil
VX-680/MK-0457 binds to human ABL1 also in inactive DFG conformations.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-METHOXYETHANOL, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, ...
Authors:Kyomuhendo, P, Narayanan, D, Engh, R.A.
Deposit date:2015-05-06
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:VX-680/MK-0457 binds also to human ABL1 with inactive DFG conformations.
To Be Published
6H8Q
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BU of 6h8q by Molmil
Structural basis for Scc3-dependent cohesin recruitment to chromatin
Descriptor: Cohesin subunit SCC3, DNA (5'-D(P*CP*TP*TP*TP*CP*GP*TP*TP*TP*CP*CP*TP*TP*GP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*CP*AP*AP*GP*GP*AP*AP*AP*CP*GP*AP*AP*AP*G)-3'), ...
Authors:Li, Y, Muir, K, Panne, D.
Deposit date:2018-08-03
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.631 Å)
Cite:Structural basis for Scc3-dependent cohesin recruitment to chromatin.
Elife, 7, 2018
6H9O
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BU of 6h9o by Molmil
Complex of the periplasmic domains of bacterial cell division proteins FtsQ and FtsB
Descriptor: Cell division protein FtsB, Cell division protein FtsQ
Authors:Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2018-08-05
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Analysis of the Interaction between the Bacterial Cell Division Proteins FtsQ and FtsB.
MBio, 9, 2018
6H9U
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BU of 6h9u by Molmil
Crystal structure of the BiP NBD and MANF SAP complex
Descriptor: D-MALATE, Endoplasmic reticulum chaperone BiP, Mesencephalic astrocyte-derived neurotrophic factor, ...
Authors:Yan, Y, Ron, D.
Deposit date:2018-08-06
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:MANF antagonizes nucleotide exchange by the endoplasmic reticulum chaperone BiP.
Nat Commun, 10, 2019
4ZPK
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BU of 4zpk by Molmil
Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with HRE DNA
Descriptor: Aryl hydrocarbon receptor nuclear translocator, DNA (5'-D(*CP*AP*CP*GP*AP*CP*CP*CP*GP*CP*AP*CP*GP*TP*AP*CP*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*GP*CP*TP*GP*CP*GP*TP*AP*CP*GP*TP*GP*CP*GP*GP*GP*TP*CP*GP*T)-3'), ...
Authors:Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F.
Deposit date:2015-05-08
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
4YYU
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BU of 4yyu by Molmil
Ficin C crystal form I
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ficin isoform C, SULFATE ION
Authors:Azarkan, M, Baeyens-Volant, D, Loris, R.
Deposit date:2015-03-24
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.177 Å)
Cite:Crystal structure of four variants of the protease Ficin from the common fig
To Be Published
1HUJ
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BU of 1huj by Molmil
REFINED STRUCTURE OF YEAST INORGANIC PYROPHOSPHATASE AND ITS K61R MUTANT
Descriptor: INORGANIC PYROPHOSPHATASE, MAGNESIUM ION
Authors:Swaminathan, K, Cooperman, B.S, Lahti, R, Voet, D.
Deposit date:1997-12-26
Release date:1998-04-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined Structure of Yeast Inorganic Pyrophosphatase and its K61R Mutant
To be Published
6HWU
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BU of 6hwu by Molmil
Crystal structure of p38alpha in complex with a photoswitchable 2-Azothiazol-based Inhibitor (compound 2)
Descriptor: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
Authors:Mueller, M.P, Rauh, D.
Deposit date:2018-10-15
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
6HYO
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BU of 6hyo by Molmil
Structure of ULK1 LIR motif bound to GABARAP
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D.
Deposit date:2018-10-22
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
6HZR
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BU of 6hzr by Molmil
Apo structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3
Descriptor: Peptidoglycan D,D-transpeptidase FtsI
Authors:Bellini, D, Dowson, C.G.
Deposit date:2018-10-23
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
6HEJ
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BU of 6hej by Molmil
Structure of human USP28
Descriptor: SULFATE ION, Ubiquitin carboxyl-terminal hydrolase 28
Authors:Gersch, M, Komander, D.
Deposit date:2018-08-20
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity.
Mol.Cell, 74, 2019
6HEV
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BU of 6hev by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT061
Descriptor: 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
6XGW
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BU of 6xgw by Molmil
ISCth4 transposase, pre-reaction complex, PRC
Descriptor: DNA (32-MER), Mutator family transposase
Authors:Kosek, D, Dyda, F.
Deposit date:2020-06-18
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structures of ISCth4 transpososomes reveal the role of asymmetry in copy-out/paste-in DNA transposition.
Embo J., 40, 2021
6XI0
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BU of 6xi0 by Molmil
R. capsulatus cyt bc1 (CIII2) at 3.3A
Descriptor: Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F.
Deposit date:2020-06-19
Release date:2020-12-30
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
6H9N
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BU of 6h9n by Molmil
Complex of the periplasmic domains of bacterial cell division proteins FtsQ and FtsB
Descriptor: Cell division protein FtsB, Cell division protein FtsQ
Authors:Kureisaite-Ciziene, D, Lowe, J.
Deposit date:2018-08-05
Release date:2018-09-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Analysis of the Interaction between the Bacterial Cell Division Proteins FtsQ and FtsB.
MBio, 9, 2018

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