8B18
 
 | | DtpB-Nb132-AF | | Descriptor: | ALA-PHE, DECANE, DODECANE, ... | | Authors: | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | | Deposit date: | 2022-09-09 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
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8B1C
 | | DtpB-Nb132-ALA | | Descriptor: | ALA-LEU-ALA, DECANE, DODECANE, ... | | Authors: | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | | Deposit date: | 2022-09-09 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
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8B19
 | | DtpB-Nb132-AFA | | Descriptor: | ALA-PHE-ALA, DECANE, DODECANE, ... | | Authors: | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | | Deposit date: | 2022-09-09 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
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8B17
 | | DtpB-Nb132-AWA | | Descriptor: | ALA-TRP-ALA, DECANE, DODECANE, ... | | Authors: | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | | Deposit date: | 2022-09-09 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
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8B1H
 | | DtpB-Nb132-KV | | Descriptor: | DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C. | | Deposit date: | 2022-09-09 | | Release date: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
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5CWN
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8AQ6
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8AQI
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8AU3
 | | c-MET Y1234E,Y1235E mutant in complex with Tepotinib | | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, DI(HYDROXYETHYL)ETHER, Hepatocyte growth factor receptor, ... | | Authors: | Graedler, U, Lammens, A. | | Deposit date: | 2022-08-25 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Biophysical and structural characterization of the impacts of MET phosphorylation on tepotinib binding.
J.Biol.Chem., 299, 2023
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1XSA
 | | Structure of the nudix enzyme AP4A hydrolase from homo sapiens (E63A mutant) | | Descriptor: | Bis(5'-nucleosyl)-tetraphosphatase | | Authors: | Swarbrick, J.D, Buyya, S, Gunawardana, D, Gayler, K.R, McLennan, A.G, Gooley, P.R. | | Deposit date: | 2004-10-18 | | Release date: | 2004-12-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure and Substrate-binding Mechanism of Human Ap4A Hydrolase
J.Biol.Chem., 280, 2005
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3OUH
 | | PHD2-R127 with JNJ41536014 | | Descriptor: | 1-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazole-4-carboxylic acid, Egl nine homolog 1, FE (II) ION, ... | | Authors: | Kim, H, Clark, R. | | Deposit date: | 2010-09-14 | | Release date: | 2010-12-01 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.
ACS Med Chem Lett, 1, 2010
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5DCZ
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8AU4
 | | Structural insights reveal a heterotetramer between oncogenic K-Ras4BG12V and Rgl2, a RalA/B activator | | Descriptor: | Ral guanine nucleotide dissociation stimulator-like 2 | | Authors: | Tariq, M, Ikeya, T, Togashi, N, Fairall, L, Alejo, C.B, Kamei, S, Alonso, B.R, Campillo, M.A.M, Hudson, A, Ito, Y, Schwabe, J, Dominguez, C, Tanaka, K. | | Deposit date: | 2022-08-25 | | Release date: | 2023-08-23 | | Last modified: | 2023-10-25 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the complex of oncogenic KRas4B G12V and Rgl2, a RalA/B activator.
Life Sci Alliance, 7, 2024
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6GEL
 | | The structure of TWITCH-2B | | Descriptor: | CALCIUM ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S. | | Deposit date: | 2018-04-26 | | Release date: | 2019-08-21 | | Last modified: | 2019-09-11 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Dynamic tuning of FRET in a green fluorescent protein biosensor.
Sci Adv, 5, 2019
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5DDD
 | | menin in complex with MI-836 | | Descriptor: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(2-fluoroethyl)thieno[2,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Pollock, J, Dmitry, B, Cierpicki, T, Grembecka, J. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein-Ligand Complexes.
J.Med.Chem., 58, 2015
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3P24
 | | Structure of profragilysin-3 from Bacteroides fragilis | | Descriptor: | AZIDE ION, BFT-3, GLYCEROL, ... | | Authors: | Goulas, T, Arolas, J.L, Gomis-Ruth, F.X. | | Deposit date: | 2010-10-01 | | Release date: | 2010-12-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure, function and latency regulation of a bacterial enterotoxin potentially derived from a mammalian adamalysin/ADAM xenolog.
Proc.Natl.Acad.Sci.USA, 108, 2011
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5E41
 | | Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(N-(10-hydroxydecanoyl)-aminopentenyl)-2'-deoxyuridine-triphosphate | | Descriptor: | 2'-deoxy-5-{(1E)-5-[(10-hydroxydecanoyl)amino]pent-1-en-1-yl}uridine 5'-(tetrahydrogen triphosphate), DNA (5'-D(*AP*AP*AP*AP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3'), ... | | Authors: | Hottin, A, Betz, K, Marx, A. | | Deposit date: | 2015-10-05 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for the KlenTaq DNA Polymerase Catalysed Incorporation of Alkene- versus Alkyne-Modified Nucleotides.
Chemistry, 23, 2017
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7ZW8
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7ZY6
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3I1A
 | | Crystal Structure of apo Spectinomycin Phosphotransferase, APH(9)-Ia | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Spectinomycin phosphotransferase, ... | | Authors: | Berghuis, A.M, Fong, D.H, Lemke, C.T, Hwang, J, Xiong, B. | | Deposit date: | 2009-06-25 | | Release date: | 2010-01-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the antibiotic resistance factor spectinomycin phosphotransferase from Legionella pneumophila.
J.Biol.Chem., 285, 2010
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5ELF
 | | Cholera toxin El Tor B-pentamer in complex with A-pentasaccharide | | Descriptor: | BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ... | | Authors: | Heggelund, J.E, Burschowsky, D, Krengel, U. | | Deposit date: | 2015-11-04 | | Release date: | 2016-03-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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7KNF
 | | 1.80A resolution structure of independent Phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Ce-1 NHOH) | | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, DTY-ASP-TYR-PRO-GLY-ASP-HIS-CYS-TYR-LEU-TYR-GLY-THR, SODIUM ION, ... | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Weidmann, M, Dranchak, P, Aitha, M, Queme, B, Collmus, C.D, Kanter, L, Lamy, L, Tao, D, Rai, G, Suga, H, Inglese, J. | | Deposit date: | 2020-11-04 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-activity relationship of ipglycermide binding to phosphoglycerate mutases.
J.Biol.Chem., 296, 2021
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3PA7
 | | Crystal structure of FKBP from plasmodium vivax in complex with tetrapeptide ALPF | | Descriptor: | 4-mer Peptide ALPF, 70 kDa peptidylprolyl isomerase, putative | | Authors: | Balakrishna, A.M, Alag, R, Yoon, H.S. | | Deposit date: | 2010-10-18 | | Release date: | 2012-02-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structural insights into substrate binding by PvFKBP35, a peptidylprolyl cis-trans isomerase from the human malarial parasite Plasmodium vivax
EUKARYOTIC CELL, 12, 2013
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2GRU
 | | Crystal structure of 2-deoxy-scyllo-inosose synthase complexed with carbaglucose-6-phosphate, NAD+ and Co2+ | | Descriptor: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-deoxy-scyllo-inosose synthase, ... | | Authors: | Nango, E, Kumasaka, T. | | Deposit date: | 2006-04-25 | | Release date: | 2007-05-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of 2-deoxy-scyllo-inosose synthase, a key enzyme in the biosynthesis of 2-deoxystreptamine-containing aminoglycoside antibiotics, in complex with a mechanism-based inhibitor and NAD+
Proteins, 70, 2008
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1Y8D
 | | Dimeric parallel-stranded tetraplex with 3+1 5' G-tetrad interface, single-residue chain reversal loops and GAG triad in the context of A(GGGG) pentad | | Descriptor: | 5'-D(*GP*GP*GP*GP*TP*GP*GP*GP*AP*GP*GP*AP*GP*GP*GP*T)-3' | | Authors: | Phan, A.T, Kuryavyi, V.V, Ma, J.-B, Faure, A, Andreola, M.-L, Patel, D.J. | | Deposit date: | 2004-12-11 | | Release date: | 2005-02-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An interlocked dimeric parallel-stranded DNA quadruplex: A potent inhibitor of HIV-1 integrase
Proc.Natl.Acad.Sci.USA, 102, 2005
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