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PDB: 42391 results

5HWW
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BU of 5hww by Molmil
Crystal structure of PAS1 complexed with 1,2,4-TMB
Descriptor: 1,2,4-trimethylbenzene, Sensor histidine kinase TodS
Authors:Hwang, J, Koh, S.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
6TD0
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BU of 6td0 by Molmil
Crystal structure of vaborbactam bound to KPC-2
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-11-07
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
6TL5
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BU of 6tl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
4ZEA
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BU of 4zea by Molmil
Endothiapepsin in complex with fragment B91
Descriptor: 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ...
Authors:Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U.
Deposit date:2015-04-20
Release date:2016-05-04
Last modified:2016-05-11
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
Acta Crystallogr.,Sect.F, 72, 2016
5HOR
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BU of 5hor by Molmil
Crystal structure of c-Met-M1250T in complex with SAR125844.
Descriptor: 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor
Authors:Vallee, F, Houtmann, J, Marquette, J.-P.
Deposit date:2016-01-19
Release date:2016-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
5HQ4
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BU of 5hq4 by Molmil
A Glycoside Hydrolase Family 97 enzyme from Pseudoalteromonas sp. strain K8
Descriptor: Alpha-glucosidase, CALCIUM ION, CHLORIDE ION, ...
Authors:Li, J, He, C, Xiao, Y.
Deposit date:2016-01-21
Release date:2017-01-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.926 Å)
Cite:Structures of PspAG97A alpha-glucoside hydrolase reveal a novel mechanism for chloride induced activation.
J. Struct. Biol., 196, 2016
2PX9
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BU of 2px9 by Molmil
The intrinsic affinity between E2 and the Cys domain of E1 in Ubiquitin-like modifications
Descriptor: SUMO-activating enzyme subunit 2, SUMO-conjugating enzyme UBC9
Authors:Wang, J.H, Hu, W.D, Cai, S, Lee, B, Song, J, Chen, Y.
Deposit date:2007-05-14
Release date:2007-07-24
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The intrinsic affinity between E2 and the Cys domain of E1 in ubiquitin-like modifications.
Mol.Cell, 27, 2007
2Q1D
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2-keto-3-deoxy-D-arabinonate dehydratase complexed with magnesium and 2,5-dioxopentanoate
Descriptor: 2,5-DIOXOPENTANOIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, MAGNESIUM ION
Authors:Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
Deposit date:2007-05-24
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily.
J.Mol.Biol., 379, 2008
4ZN9
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BU of 4zn9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS)
Descriptor: Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2015-05-04
Release date:2015-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands.
Chemmedchem, 7, 2012
4ZOW
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BU of 4zow by Molmil
Crystal structure of E. coli multidrug transporter MdfA in complex with chloramphenicol
Descriptor: CHLORAMPHENICOL, Multidrug transporter MdfA
Authors:Zhang, X.C, Heng, J, Zhao, Y, Wang, X.
Deposit date:2015-05-07
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-bound structure of the E. coli multidrug resistance transporter MdfA
Cell Res., 25, 2015
6TNU
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BU of 6tnu by Molmil
Yeast 80S ribosome in complex with eIF5A and decoding A-site and P-site tRNAs.
Descriptor: 18S rRNA, 25S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R.
Deposit date:2019-12-10
Release date:2020-04-22
Last modified:2020-04-29
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The Ccr4-Not complex monitors the translating ribosome for codon optimality.
Science, 368, 2020
3T3O
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BU of 3t3o by Molmil
Molecular basis for the recognition and cleavage of RNA (CUGG) by the bifunctional 5'-3' exo/endoribonuclease RNase J
Descriptor: GLYCEROL, Metal dependent hydrolase, O2'methyl-RNA, ...
Authors:Dorleans, A, Li de la Sierra-Gallay, I, Piton, J, Zig, L, Gilet, L, Putzer, H, Condon, C.
Deposit date:2011-07-25
Release date:2011-10-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Basis for the Recognition and Cleavage of RNA by the Bifunctional 5'-3' Exo/Endoribonuclease RNase J.
Structure, 19, 2011
6L3U
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BU of 6l3u by Molmil
Human Cx31.3/GJC3 connexin hemichannel in the presence of calcium
Descriptor: CALCIUM ION, Gap junction gamma-3 protein, Lauryl Maltose Neopentyl Glycol
Authors:Lee, H.J, Jeong, H, Ryu, B, Hyun, J, Woo, J.S.
Deposit date:2019-10-15
Release date:2020-09-09
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:Cryo-EM structure of human Cx31.3/GJC3 connexin hemichannel.
Sci Adv, 6, 2020
1TTT
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BU of 1ttt by Molmil
Phe-tRNA, elongation factoR EF-TU:GDPNP ternary complex
Descriptor: MAGNESIUM ION, OF ELONGATION FACTOR TU (EF-TU), PHENYLALANINE, ...
Authors:Nissen, P, Kjeldgaard, M, Thirup, S, Polekhina, G, Reshetnikova, L, Clark, B.F.C, Nyborg, J.
Deposit date:1995-11-16
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the ternary complex of Phe-tRNAPhe, EF-Tu, and a GTP analog.
Science, 270, 1995
2PL9
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BU of 2pl9 by Molmil
Crystal Structure of CheY-Mg(2+)-BeF(3)(-) in Complex with CheZ(C19) Peptide solved from a P2(1)2(1)2 Crystal
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BERYLLIUM TRIFLUORIDE ION, Chemotaxis protein cheY, ...
Authors:Guhaniyogi, J, Stock, A.M.
Deposit date:2007-04-19
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Interaction of CheY with the C-terminal peptide of CheZ.
J.Bacteriol., 190, 2008
5HWN
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BU of 5hwn by Molmil
Crystal structure of keto-deoxy-D-galactarate dehydratase complexed with pyruvate
Descriptor: FORMIC ACID, GLYCEROL, PYRUVIC ACID, ...
Authors:Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J.
Deposit date:2016-01-29
Release date:2016-03-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structure and function of a decarboxylating Agrobacterium tumefaciens keto-deoxy-d-galactarate dehydratase.
Biochemistry, 53, 2014
6TH0
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BU of 6th0 by Molmil
Crystal structure of Arabidopsis thaliana NAA60 in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, Acyl-CoA N-acyltransferases (NAT) superfamily protein
Authors:Layer, D, Kopp, J, Lapouge, K, Sinning, I.
Deposit date:2019-11-18
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Arabidopsis N alpha -acetyltransferase NAA60 locates to the plasma membrane and is vital for the high salt stress response.
New Phytol., 228, 2020
1TYF
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BU of 1tyf by Molmil
THE STRUCTURE OF CLPP AT 2.3 ANGSTROM RESOLUTION SUGGESTS A MODEL FOR ATP-DEPENDENT PROTEOLYSIS
Descriptor: CLP PEPTIDASE
Authors:Wang, J, Hartling, J.A, Flanagan, J.M.
Deposit date:1997-10-13
Release date:1998-06-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of ClpP at 2.3 A resolution suggests a model for ATP-dependent proteolysis.
Cell(Cambridge,Mass.), 91, 1997
5HZM
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BU of 5hzm by Molmil
Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae)
Descriptor: Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:DONG, A, ZENG, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, MIN, J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-02-02
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural basis of arginine asymmetrical dimethylation by PRMT6.
Biochem. J., 473, 2016
5HLW
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BU of 5hlw by Molmil
Crystal structure of c-Met mutant Y1230H in complex with compound 14
Descriptor: 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(6-{[6-(thiophen-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)urea, CHLORIDE ION, Hepatocyte growth factor receptor
Authors:Vallee, F, Pouzieux, S, Marquette, J.P, Houtmann, J.
Deposit date:2016-01-15
Release date:2016-11-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844).
J.Med.Chem., 59, 2016
4E5O
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BU of 4e5o by Molmil
Crystal structure of mouse thymidylate synthase in complex with dUMP
Descriptor: 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
Deposit date:2012-03-14
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
4ZB2
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BU of 4zb2 by Molmil
A native form of glucose isomerase collected at room temperature.
Descriptor: MANGANESE (II) ION, Xylose isomerase, alpha-D-glucopyranose, ...
Authors:Sandy, J.
Deposit date:2015-04-14
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A generic protocol for protein crystal dehydration using the HC1b humidity controller.
Acta Crystallogr D Struct Biol, 72, 2016
5HRT
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BU of 5hrt by Molmil
Crystal structure of mouse autotaxin in complex with a DNA aptamer
Descriptor: CALCIUM ION, CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Kato, K, Nishimasu, H, Morita, J, Ishitani, R, Nureki, O.
Deposit date:2016-01-24
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural basis for specific inhibition of Autotaxin by a DNA aptamer
Nat.Struct.Mol.Biol., 23, 2016
2PVW
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BU of 2pvw by Molmil
A high resolution structure of human glutamate carboxypeptidase II (GCPII) in complex with 2-(phosphonomethyl)pentanedioic acid (2-PMPA)
Descriptor: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Lubkowski, J.
Deposit date:2007-05-10
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II.
J.Med.Chem., 50, 2007
2PKU
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BU of 2pku by Molmil
Solution structure of PICK1 PDZ in complex with the carboxyl tail peptide of GluR2
Descriptor: PRKCA-binding protein, peptide (GLU)(SER)(VAL)(LYS)(ILE)
Authors:Pan, L, Wu, H, Shen, C, Shi, Y, Xia, J, Zhang, M.
Deposit date:2007-04-18
Release date:2007-11-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Clustering and synaptic targeting of PICK1 requires direct interaction between the PDZ domain and lipid membranes
Embo J., 26, 2007

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