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7ZPP
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BU of 7zpp by Molmil
Cryo-EM structure of the MVV CSC intasome at 4.5A resolution
Descriptor: Integrase, vDNA, non-transferred strand, ...
Authors:Ballandras-Colas, A, Maskell, D, Pye, V.E, Locke, J, Swuec, S, Kotecha, A, Costa, A, Cherepanov, P.
Deposit date:2022-04-28
Release date:2022-05-11
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:A supramolecular assembly mediates lentiviral DNA integration
Science, 355, 2017
7FSA
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BU of 7fsa by Molmil
Structure of liver pyruvate kinase in complex with allosteric modulator 24
Descriptor: (1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol, 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, ...
Authors:Lulla, A, Nilsson, O, Brear, P, Nain-Perez, A, Grotli, M, Hyvonen, M.
Deposit date:2022-12-18
Release date:2023-04-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:Tuning liver pyruvate kinase activity up or down with a new class of allosteric modulators.
Eur.J.Med.Chem., 250, 2023
4OYI
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BU of 4oyi by Molmil
Human solAC Complexed with (4-Amino-furazan-3-yl)-phenyl-methanone
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
6BG8
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BU of 6bg8 by Molmil
Shewanella frigidimarina ice-binding protein_1 DUF3494 Domain
Descriptor: CHLORIDE ION, GLYCEROL, Ig domain protein, ...
Authors:Vance, T.D.R, Davies, P.L.
Deposit date:2017-10-27
Release date:2018-03-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.59712946 Å)
Cite:An ice-binding and tandem beta-sandwich domain-containing protein in Shewanella frigidimarina is a potential new type of ice adhesin.
FEBS J., 285, 2018
4OTI
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BU of 4oti by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
7ZNO
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BU of 7zno by Molmil
Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270
Descriptor: Serine protease NS3, Serine protease subunit NS2B, [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2022-04-21
Release date:2022-06-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease.
Chemmedchem, 18, 2023
6DA6
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BU of 6da6 by Molmil
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes, apo form at 2.6 A resolution (P212121)
Descriptor: GLYCEROL, MAGNESIUM ION, UNKNOWN LIGAND, ...
Authors:Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2018-05-01
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
7TXH
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BU of 7txh by Molmil
Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca
Descriptor: GLYCEROL, Leucine-rich repeat protein SHOC-2, MAGNESIUM ION, ...
Authors:Hauseman, Z.J, Viscomi, J, Dhembi, A, Clark, K, King, D.A, Fodor, M.
Deposit date:2022-02-09
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the MRAS-SHOC2-PP1C phosphatase complex.
Nature, 609, 2022
5GUS
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BU of 5gus by Molmil
Crystal structure of ASCH domain from Zymomonas mobilis
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, Helix-turn-helix domain-containing protein, ...
Authors:Ha, S.C, Park, S.Y, Kim, J.S.
Deposit date:2016-08-31
Release date:2017-08-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystal structure of an ASCH protein from Zymomonas mobilis and its ribonuclease activity specific for single-stranded RNA.
Sci Rep, 7, 2017
4YA1
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BU of 4ya1 by Molmil
Yeast 20S proteasome beta2-H116N mutant
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-17
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
4OBX
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BU of 4obx by Molmil
Crystal structure of yeast Coq5 in the apo form
Descriptor: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
Deposit date:2014-01-07
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
8SWY
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BU of 8swy by Molmil
PARP4 ART domain bound to NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Protein mono-ADP-ribosyltransferase PARP4
Authors:Frigon, L, Pascal, J.M.
Deposit date:2023-05-19
Release date:2023-11-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and biochemical analysis of the PARP1-homology region of PARP4/vault PARP.
Nucleic Acids Res., 51, 2023
8YGZ
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BU of 8ygz by Molmil
The Crystal Structure of TGF beta R2 kinase domain from Biortus.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TGF-beta receptor type-2
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J.
Deposit date:2024-02-27
Release date:2024-03-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of TGF beta R2 kinase domain from Biortus.
To Be Published
6KWH
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BU of 6kwh by Molmil
Crystal Structure Analysis of Endo-beta-1,4-xylanase II Complexed with Xylotriose
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Li, C, Wan, Q.
Deposit date:2019-09-06
Release date:2021-07-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.808 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism
To Be Published
6BCX
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BU of 6bcx by Molmil
mTORC1 structure refined to 3.0 angstroms
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, MAGNESIUM ION, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
9GM5
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BU of 9gm5 by Molmil
OCCM maturation intermediate stalled with an Arginine Finger mutation in Mcm5: Conformer 1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein CDT1, ...
Authors:Butryn, A, Costa, A.
Deposit date:2024-08-28
Release date:2025-03-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Unidirectional MCM translocation away from ORC drives origin licensing.
Nat Commun, 16, 2025
8XPX
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BU of 8xpx by Molmil
The Crystal Structure of PARP12 from Biortus.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Shen, Z.
Deposit date:2024-01-04
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Crystal Structure of PARP12 from Biortus.
To Be Published
8XS4
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BU of 8xs4 by Molmil
Cryo-EM structure of OSCA1.2-DOPC-1:20-contracted1 state
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Zhang, Y, Han, Y.
Deposit date:2024-01-08
Release date:2024-04-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Mechanical activation opens a lipid-lined pore in OSCA ion channels.
Nature, 628, 2024
6HCE
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BU of 6hce by Molmil
Crystal structure of chicken riboflavin binding protein in "Apo" form at 2.5 A resolution
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Loch, J.I, Lipowska, J, Lewinski, K.
Deposit date:2018-08-14
Release date:2018-08-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of chicken riboflavin binding protein in "Apo" form at 2.5 A resolution
To Be Published
5JA9
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BU of 5ja9 by Molmil
Crystal structure of the HigB2 toxin in complex with Nb6
Descriptor: 1,2-ETHANEDIOL, Nanobody 6, SULFATE ION, ...
Authors:Hadzi, S, Loris, R.
Deposit date:2016-04-12
Release date:2017-04-05
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Ribosome-dependent Vibrio cholerae mRNAse HigB2 is regulated by a beta-strand sliding mechanism.
Nucleic Acids Res., 45, 2017
6BCU
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BU of 6bcu by Molmil
Cryo-EM structure of the activated RHEB-mTORC1 refined to 3.4 angstrom
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E-binding protein 1, GTP-binding protein Rheb, ...
Authors:Pavletich, N.P, Yang, H.
Deposit date:2017-10-20
Release date:2017-12-20
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Mechanisms of mTORC1 activation by RHEB and inhibition by PRAS40.
Nature, 552, 2017
3N6Y
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BU of 3n6y by Molmil
Crystal structure of an immunoglobulin-like protein (PA1606) from PSEUDOMONAS AERUGINOSA at 1.50 A resolution
Descriptor: SULFATE ION, TETRAETHYLENE GLYCOL, immunoglobulin-like protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-26
Release date:2010-07-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of an immunoglobulin-like protein (PA1606) from PSEUDOMONAS AERUGINOSA at 1.50 A resolution
To be published
7SWH
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BU of 7swh by Molmil
Crystal Structure of Putative cystathionine gamma-synthase from Burkholderia pseudomallei in Complex with PLP
Descriptor: 1,2-ETHANEDIOL, Putative cystathionine gamma-synthase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-11-19
Release date:2021-12-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of Putative cystathionine gamma-synthase from Burkholderia pseudomallei in Complex with PLP
to be published
6I0K
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BU of 6i0k by Molmil
Structure of quinolinate synthase in complex with 4-mercaptophthalic acid
Descriptor: 4-mercaptoidenecyclohexa-2,5-diene-1,2-dicarboxylic acid, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-10-26
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Design of specific inhibitors of quinolinate synthase based on [4Fe-4S] cluster coordination.
Chem.Commun.(Camb.), 55, 2019
4Y9Y
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BU of 4y9y by Molmil
Yeast 20S proteasome beta2-H116E mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Proteasome subunit alpha type-1, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2015-02-17
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015

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