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4U6C
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BU of 4u6c by Molmil
HsMetAP in complex with [(1R)-1-amino-3-cyclopentylpropyl]phosphonic acid
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
5YBQ
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BU of 5ybq by Molmil
Fe(II)/(alpha)ketoglutarate-dependent dioxygenase PrhA-V150L/A232S in complex with preaustinoid A2
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, PrhA, ...
Authors:Nakashima, Y, Senda, M.
Deposit date:2017-09-05
Release date:2018-01-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure function and engineering of multifunctional non-heme iron dependent oxygenases in fungal meroterpenoid biosynthesis.
Nat Commun, 9, 2018
4UGY
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BU of 4ugy by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2- dimethylethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORIDE ION, GLYCEROL, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
5YC2
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BU of 5yc2 by Molmil
Crystal structure of inner membrane protein Bqt4 in complex with telomeric protein Rap1
Descriptor: DNA-binding protein rap1, Ubiquitin-like protein SMT3,Bouquet formation protein 4
Authors:Chen, Y, Hu, C.
Deposit date:2017-09-06
Release date:2018-11-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Structural insights into chromosome attachment to the nuclear envelope by an inner nuclear membrane protein Bqt4 in fission yeast.
Nucleic Acids Res., 47, 2019
4UI1
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BU of 4ui1 by Molmil
Crystal structure of the human RGMC-BMP2 complex
Descriptor: 1,2-ETHANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ...
Authors:Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C.
Deposit date:2015-03-27
Release date:2015-05-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein.
Nat.Struct.Mol.Biol., 22, 2015
5YCG
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BU of 5ycg by Molmil
Ancestral myoglobin aMbWp of Pakicetus relative
Descriptor: Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE
Authors:Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T.
Deposit date:2017-09-07
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
4U4T
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BU of 4u4t by Molmil
Structure of a nitrate/nitrite antiporter NarK in nitrate-bound inward-open state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, NITRATE ION, Nitrate/nitrite transporter NarK, ...
Authors:Fukuda, M, Takeda, H, Kato, H.E, Doki, S, Ito, K, Maturana, A.D, Ishitani, R, Nureki, O.
Deposit date:2014-07-24
Release date:2015-07-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for dynamic mechanism of nitrate/nitrite antiport by NarK
Nat Commun, 6, 2015
5YCK
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BU of 5yck by Molmil
Crystal structure of a MATE family protein derived from Camelina sativa at 2.3 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, RUBIDIUM ION, multi drug efflux transporter
Authors:Tanaka, Y, Tsukazaki, T, Iwaki, S.
Deposit date:2017-09-07
Release date:2017-09-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Plant Multidrug and Toxic Compound Extrusion Family Protein
Structure, 25, 2017
4U6F
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BU of 4u6f by Molmil
Crystal structure of T-2 toxin bound to the yeast 80S ribosome
Descriptor: 12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-28
Release date:2014-10-22
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
4U4U
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BU of 4u4u by Molmil
Crystal structure of Lycorine bound to the yeast 80S ribosome
Descriptor: (1S,2S,12bS,12cS)-2,4,5,7,12b,12c-hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 18S ribosomal RNA, 25S ribosomal RNA, ...
Authors:Garreau de Loubresse, N, Prokhorova, I, Yusupova, G, Yusupov, M.
Deposit date:2014-07-24
Release date:2014-10-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the inhibition of the eukaryotic ribosome.
Nature, 513, 2014
5Y98
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BU of 5y98 by Molmil
Crystal structure of native unbound peptidyl tRNA hydrolase from Acinetobacter baumannii at 1.36 A resolution
Descriptor: GLYCEROL, Peptidyl-tRNA hydrolase
Authors:Iqbal, N, Singh, N, Kaushik, S, Singh, P.K, Sharma, S, Singh, T.P.
Deposit date:2017-08-23
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Search of multiple hot spots on the surface of peptidyl-tRNA hydrolase: structural, binding and antibacterial studies.
Biochem. J., 475, 2018
5Y9I
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BU of 5y9i by Molmil
Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with Co(II)
Descriptor: ACETATE ION, CHLORIDE ION, COBALT (II) ION, ...
Authors:Chung, H.S, Pemble, C.W, Joo, S.H.
Deposit date:2017-08-25
Release date:2018-10-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Biochemical and structural insights of Fe(II)/alpha-ketoglutarate/O2-dependent dioxygenase, KdoO from Methylacidiphilum infernorum V4
To Be Published
4UQA
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BU of 4uqa by Molmil
X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum
Descriptor: CARBOHYDRATE BINDING FAMILY 6, HISTIDINE
Authors:Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-06-22
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 72, 2016
4UPU
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BU of 4upu by Molmil
Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin
Descriptor: CALCIUM ION, CALMODULIN, GLYCEROL, ...
Authors:Franco-Echevarria, E, Banos-Sanz, J.I, Monterroso, B, Round, A, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2014-06-18
Release date:2014-08-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation.
Biochem.J., 463, 2014
5Y9P
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BU of 5y9p by Molmil
Staphylococcus aureus RNase HII
Descriptor: GLYCEROL, Ribonuclease HII
Authors:Hang, T, Wu, M, Zhang, X.
Deposit date:2017-08-26
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into a novel functional dimer of Staphylococcus aureus RNase HII
Biochem. Biophys. Res. Commun., 503, 2018
4UIV
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BU of 4uiv by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4- oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2- carboximidamide
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 9, N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
5Y9T
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BU of 5y9t by Molmil
Crystal Structure of EGFR T790M mutant in complex with naquotinib
Descriptor: 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor
Authors:Mimasu, S, Tomimoto, Y, Maiko, I, Yasushi, A, Tatsuya, N.
Deposit date:2017-08-28
Release date:2018-07-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Pharmacological and Structural Characterizations of Naquotinib, a Novel Third-Generation EGFR Tyrosine Kinase Inhibitor, inEGFR-Mutated Non-Small Cell Lung Cancer.
Mol. Cancer Ther., 17, 2018
4UHJ
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BU of 4uhj by Molmil
Crystal structure of the receiver domain of CpxR from E. coli (orthorhombic form)
Descriptor: MAGNESIUM ION, TRANSCRIPTIONAL REGULATORY PROTEIN CPXR
Authors:Mechaly, A.E, Alzari, P.M.A.
Deposit date:2015-03-24
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Coupling between Autokinase and Phosphotransferase Reactions in a Bacterial Histidine Kinase.
Structure, 25, 2017
5YCZ
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BU of 5ycz by Molmil
Crystal structure of Alocasin, protease inhibitor from Giant Taro (Arum macrorrhizon)
Descriptor: Trypsin/chymotrypsin inhibitor
Authors:Vajravijayan, S, Pletnev, S, Nandhagopal, N, Gunasekaran, K.
Deposit date:2017-09-08
Release date:2018-06-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Crystal structure of a novel Kunitz type inhibitor, alocasin with anti-Aedes aegypti activity targeting midgut proteases.
Pest Manag. Sci., 74, 2018
5YD7
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BU of 5yd7 by Molmil
Crystal Structure OF VIM-2 Metallo-beta-lactamase
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION
Authors:Wachino, J.
Deposit date:2017-09-11
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure Of VIM-2 Metallo-beta-lactamase
To Be Published
4U6B
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BU of 4u6b by Molmil
Zg3597, a family 117 glycoside hydrolase, produced by the marine bacterium Zobellia galactanivorans
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
Authors:Ficko-Blean, E.
Deposit date:2014-07-28
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural investigation of two paralogous glycoside hydrolases from Zobellia galactanivorans: novel insights into the evolution, dimerization plasticity and catalytic mechanism of the GH117 family.
Acta Crystallogr.,Sect.D, 71, 2015
5YA1
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BU of 5ya1 by Molmil
crystal structure of LsrK-HPr complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Autoinducer-2 kinase, HEXANE-1,6-DIOL, ...
Authors:Ryu, K.S, Ha, J.H.
Deposit date:2017-08-29
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:Evidence of link between quorum sensing and sugar metabolism inEscherichia colirevealed via cocrystal structures of LsrK and HPr
Sci Adv, 4, 2018
4U1V
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BU of 4u1v by Molmil
Crystal structure of the E. coli ribosome bound to linopristin.
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Noeske, J, Huang, J, Olivier, N.B, Giacobbe, R.A, Zambrowski, M, Cate, J.H.D.
Deposit date:2014-07-16
Release date:2014-07-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synergy of streptogramin antibiotics occurs independently of their effects on translation.
Antimicrob.Agents Chemother., 58, 2014
4U6L
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BU of 4u6l by Molmil
Crystal structure of DNA/RNA duplex obtained in the presence of [Co(NH3)6]Cl3 and SrCl2
Descriptor: COBALT HEXAMMINE(III), DNA (5'-D(*(5CM)P*TP*CP*TP*TP*CP*TP*TP*(5CM))-3'), RNA (5'-R(*GP*AP*AP*GP*AP*AP*GP*AP*G)-3'), ...
Authors:Kondo, J, Nomura, Y, Kitahara, Y, Obika, S, Torigoe, H.
Deposit date:2014-07-29
Release date:2015-08-19
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of a 2',4'-BNA(NC)[N-Me]-modified antisense gapmer in complex with the target RNA.
Chem.Commun.(Camb.), 52, 2016
5YB2
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BU of 5yb2 by Molmil
Crystal structure of LP-11/N44
Descriptor: Envelope glycoprotein, LP-11
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-03
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018

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