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4Q9K
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BU of 4q9k by Molmil
P-glycoprotein cocrystallised with QZ-Leu
Descriptor: (30F)L(30F)L(30F)L Peptide, Multidrug resistance protein 1A
Authors:McGrath, A.P, Szewczyk, P, Chang, G.
Deposit date:2014-05-01
Release date:2015-03-04
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Acta Crystallogr.,Sect.D, 71, 2015
4PW4
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BU of 4pw4 by Molmil
Crystal structure of Aminopeptidase N in complex with phosphonic acid analogue of homophenylalanine L-(R)-hPheP
Descriptor: Aminopeptidase N, GLYCEROL, IMIDAZOLE, ...
Authors:Nocek, B, Mulligan, R, Vassiliou, S, Berlicki, L, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-03-18
Release date:2014-06-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Aminopeptidase N in complex with phosphonic analogs of homophenylalanine
TO BE PUBLISHED
4PXZ
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BU of 4pxz by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSADP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4QEB
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BU of 4qeb by Molmil
Dcps in complex with covalent inhibitor targeting Tyrosine
Descriptor: 3-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, PHOSPHATE ION, m7GpppX diphosphatase
Authors:Liu, S.
Deposit date:2014-05-15
Release date:2015-05-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Human Dcps in complex with covalent inhibitor
To be Published
4QG6
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BU of 4qg6 by Molmil
crystal structure of PKM2-Y105E mutant
Descriptor: PROLINE, Pyruvate kinase PKM
Authors:Wang, P, Sun, C, Zhu, T, Xu, Y.
Deposit date:2014-05-22
Release date:2015-02-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.207 Å)
Cite:Structural insight into mechanisms for dynamic regulation of PKM2.
Protein Cell, 6, 2015
4QH4
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BU of 4qh4 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in acetate buffer at pH3
Descriptor: ACETATE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ...
Authors:Fourati, Z, Delarue, M, Sauguet, L.
Deposit date:2014-05-26
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC
To be Published
4PZS
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BU of 4pzs by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with Acetyl-Coenzyme A
Descriptor: ACETYL COENZYME *A, DIMETHYL SULFOXIDE, Histone acetyltransferase p300
Authors:Maksimoska, J, Marmorstein, R.
Deposit date:2014-03-31
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues.
Biochemistry, 53, 2014
4QDV
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BU of 4qdv by Molmil
Dcps in complex with covalent ligand
Descriptor: 4-{[(2,4-diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonic acid, GLYCEROL, PHOSPHATE ION, ...
Authors:Liu, S.
Deposit date:2014-05-14
Release date:2015-05-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dcps in complex with covalent ligands targeting Tyrosines
To be Published
4PPI
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BU of 4ppi by Molmil
Crystal structure of Bcl-xL hexamer
Descriptor: Bcl-2-like protein 1, GLYCEROL
Authors:Sreekanth, R, Yoon, H.S.
Deposit date:2014-02-27
Release date:2015-03-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Structural transition in Bcl-xL and its potential association with mitochondrial calcium ion transport
Sci Rep, 5, 2015
4PUQ
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BU of 4puq by Molmil
Mus Musculus Tdp2 reaction product complex with 5'-phosphorylated RNA/DNA, glycerol, and Mg2+
Descriptor: ACETATE ION, DNA/RNA hybrid, GLYCEROL, ...
Authors:Schellenberg, M.J, Williams, R.S.
Deposit date:2014-03-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Proteolytic Degradation of Topoisomerase II (Top2) Enables the Processing of Top2DNA and Top2RNA Covalent Complexes by Tyrosyl-DNA-Phosphodiesterase 2 (TDP2).
J.Biol.Chem., 289, 2014
4PW2
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BU of 4pw2 by Molmil
Crystal structure of D-glucuronyl C5 epimerase
Descriptor: CITRIC ACID, D-glucuronyl C5 epimerase B
Authors:Ke, J, Qin, Y, Gu, X, Brunzelle, J.S, Xu, H.E, Ding, K.
Deposit date:2014-03-18
Release date:2015-01-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Study of d-Glucuronyl C5-epimerase.
J.Biol.Chem., 290, 2015
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4PZT
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BU of 4pzt by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with an inhibitor, Acetonyl-Coenzyme A
Descriptor: DIMETHYL SULFOXIDE, Histone acetyltransferase p300, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN DIPHOSPHATE
Authors:Maksimoska, J, Marmorstein, R.
Deposit date:2014-03-31
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues.
Biochemistry, 53, 2014
4Q4E
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BU of 4q4e by Molmil
Crystal structure of E.coli aminopeptidase N in complex with actinonin
Descriptor: ACTINONIN, Aminopeptidase N, GLYCEROL, ...
Authors:Reddi, R, Ganji, R.J, Addlagatta, A.
Deposit date:2014-04-14
Release date:2015-04-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the inhibition of M1 family aminopeptidases by the natural product actinonin: Crystal structure in complex with E. coli aminopeptidase N.
Protein Sci., 24, 2015
4Q5O
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BU of 4q5o by Molmil
Crystal structure of EctD from S. alaskensis with 2-oxoglutarate and 5-hydroxyectoine
Descriptor: (4S,5S)-5-HYDROXY-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-OXOGLUTARIC ACID, Ectoine hydroxylase, ...
Authors:Hoeppner, A, Widderich, N, Bremer, E, Smits, S.H.
Deposit date:2014-04-17
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
4MTL
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BU of 4mtl by Molmil
Human Methyltransferase-Like Protein 21C
Descriptor: Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION
Authors:Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2013-09-19
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Human Methyltransferase-Like Protein 21C
To be Published
4MRX
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BU of 4mrx by Molmil
Crystal Structure of Y138F obelin mutant from Obelia longissima at 1.72 Angstrom resolution
Descriptor: C2-HYDROPEROXY-COELENTERAZINE, Obelin
Authors:Natashin, P.V, Ding, W, Eremeeva, E.V, Markova, S.V, Lee, J, Vysotski, E.S, Liu, Z.J.
Deposit date:2013-09-17
Release date:2014-03-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:Structures of the Ca2+-regulated photoprotein obelin Y138F mutant before and after bioluminescence support the catalytic function of a water molecule in the reaction.
Acta Crystallogr.,Sect.D, 70, 2014
4Q27
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BU of 4q27 by Molmil
Galectin-1 in Complex with a Click-Activated N-Acetyllactosamine
Descriptor: 3-O-prop-2-yn-1-yl-beta-D-galactopyranose-(1-4)-prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside, Galectin-1, SULFATE ION
Authors:Grimm, C, Bertleff-Zieschang, N.
Deposit date:2014-04-07
Release date:2015-10-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Galectin-1 in Complex with a Click-Activated N-Acetyllactosamine
To be Published
4PYP
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BU of 4pyp by Molmil
Crystal structure of the human glucose transporter GLUT1
Descriptor: Solute carrier family 2, facilitated glucose transporter member 1, nonyl beta-D-glucopyranoside
Authors:Deng, D, Yan, C.Y, Xu, C, Wu, J.P, Sun, P.C, Hu, M.X, Yan, N.
Deposit date:2014-03-27
Release date:2014-05-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.166 Å)
Cite:Crystal structure of the human glucose transporter GLUT1
Nature, 510, 2014
4Q2B
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BU of 4q2b by Molmil
The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-D-glucanase, FORMIC ACID, ...
Authors:Tan, K, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-04-07
Release date:2014-06-25
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440
To be Published
4Q65
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BU of 4q65 by Molmil
Structure of the E. coli Peptide Transporter YbgH
Descriptor: Dipeptide permease D
Authors:Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X.
Deposit date:2014-04-21
Release date:2014-08-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the E. coli peptide transporter YbgH.
Structure, 22, 2014
4QGS
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BU of 4qgs by Molmil
Substrate and cofactor-free form of the Aldehyde Reductase YqhD from E. coli.
Descriptor: Alcohol dehydrogenase YqhD, CHLORIDE ION, ZINC ION
Authors:LaMattina, J.W, Kapoor, S, Lanzilotta, W.N.
Deposit date:2014-05-24
Release date:2015-05-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Open form of E. coli YqhD
To be Published
4QH1
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BU of 4qh1 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with bromoacetate
Descriptor: BROMIDE ION, Proton-gated ion channel, SODIUM ION, ...
Authors:Fourati, Z, Delarue, M, Sauguet, L.
Deposit date:2014-05-26
Release date:2015-03-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC
Acta Crystallogr.,Sect.D, 2015
4Q9M
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BU of 4q9m by Molmil
Crystal structure of UPPs in complex with FPP and an allosteric inhibitor
Descriptor: 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, CADMIUM ION, FARNESYL DIPHOSPHATE, ...
Authors:Liu, S, Qiu, X.
Deposit date:2014-05-01
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase.
Protein Sci., 24, 2015
4Q0B
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BU of 4q0b by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with gap-RNA/DNA and Nevirapine
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*G)-3', 5'-R(*AP*UP*GP*GP*UP*CP*GP*GP*CP*GP*CP*CP*CP*G)-3', ...
Authors:Das, K, Martinez, S.E, Arnold, E.
Deposit date:2014-04-01
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014

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PDB entries from 2024-10-09

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