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7ALB
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BU of 7alb by Molmil
human GCH-GFRP stimulatory complex 7-deaza-GTP bound
Descriptor: 7-deaza-GTP, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
6T4G
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BU of 6t4g by Molmil
ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand FM26
Descriptor: 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid, CHOLESTEROL, GLYCEROL, ...
Authors:de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L.
Deposit date:2019-10-14
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Cooperativity between the orthosteric and allosteric ligand binding sites of ROR gamma t.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AYX
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BU of 7ayx by Molmil
Structure of the cytochrome P450 AryC from Streptomyces roseosporus NRRL 15998
Descriptor: Cytochrome P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Schneider, S, Schaefers, F, Gulder, T.A.M.
Deposit date:2020-11-13
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Carrier Protein-Free Enzymatic Biaryl Coupling in Arylomycin A2 Assembly and Structure of the Cytochrome P450 AryC.
Chemistry, 28, 2022
7AWP
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BU of 7awp by Molmil
Structure of the thermostabilized EAAT1 cryst-II mutant in complex with rubidium and barium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
5NBH
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BU of 5nbh by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, P212121 native
Descriptor: Fiber, GLYCEROL
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-03-01
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
5NJY
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BU of 5njy by Molmil
X-ray structure of the H235Q mutant of GLIC
Descriptor: Proton-gated ion channel
Authors:Hu, H, Fourati, Z, Delarue, M.
Deposit date:2017-03-30
Release date:2018-05-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:X-ray structure of the H235Q mutant of GLIC
To Be Published
7AWM
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BU of 7awm by Molmil
Structure of the thermostabilized EAAT1 cryst mutant in complex with L-ASP, three sodium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
6TFL
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BU of 6tfl by Molmil
Lsm protein (SmAP) from Halobacterium salinarum
Descriptor: CALCIUM ION, GLYCEROL, RNA-binding protein Lsm, ...
Authors:Nikulin, A.D, Fando, M.S, Lekontseva, N.V.
Deposit date:2019-11-14
Release date:2020-11-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Structure and RNA-Binding Properties of Lsm Protein from Halobacterium salinarum.
Biochemistry Mosc., 86, 2021
5NBV
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BU of 5nbv by Molmil
Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations
Descriptor: Alpha-1-antitrypsin, GLYCEROL
Authors:Huntington, J.A, Pomowski, A, Johnson, D.J.D.
Deposit date:2017-03-02
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:CRYSTAL STRUCTURE OF THE Z VARIANT OF ALPHA-1-ANTITRYPSIN REVEALS STRUCTURAL AND DYNAMICAL CHANGES AND SUPPORTS A C-TERMINAL DOMAIN SWAP MECHANISM OF POLYMERIZATION
To Be Published
5NKS
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BU of 5nks by Molmil
Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4)
Descriptor: Dihydropyrimidinase-related protein 4
Authors:Mathea, S, Elkins, J.M, Strain-Damerell, C, Salah, E, Borkowska, O, Chalk, R, Burgess-Brown, N, Pinkas, D.M, von Delft, F, Krojer, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2017-03-31
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Dihydropyrimidinase-related Protein 4 (DPYSL4, CRMP3, ULIP-4)
To Be Published
5NC1
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BU of 5nc1 by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre bound to N-acetyl-glucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fiber, GLYCEROL, ...
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-03-03
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
7AQX
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BU of 7aqx by Molmil
Co-Crystal Structure of Variant Surface Glycoprotein VSG2 in complex with Nanobody VSG2(NB9)
Descriptor: CITRIC ACID, Nanobody VSG2(NB9), SODIUM ION, ...
Authors:Stebbins, C.E, Hempelmann, A.
Deposit date:2020-10-23
Release date:2021-11-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Nanobody-mediated macromolecular crowding induces membrane fission and remodeling in the African trypanosome.
Cell Rep, 37, 2021
7AWQ
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BU of 7awq by Molmil
Structure of the thermostabilized EAAT1 cryst-E386Q mutant in complex with L-ASP, sodium ions and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, BARIUM ION, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
7AWN
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BU of 7awn by Molmil
Structure of the thermostabilized EAAT1 cryst mutant in complex with rubidium and barium and the allosteric inhibitor UCPH101
Descriptor: 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, BARIUM ION, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ...
Authors:Canul-Tec, J.C, Legrand, P, Reyes, N.
Deposit date:2020-11-08
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.92 Å)
Cite:The ion-coupling mechanism of human excitatory amino acid transporters.
Embo J., 41, 2022
6TCT
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BU of 6tct by Molmil
MakD from the mak operon of Vibrio cholerae
Descriptor: MakD
Authors:Persson, K, Nagampalli, R, Heidler, T, Wai, S.N.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:MakD from the mak operon of Vibrio cholerae
To Be Published
6TD1
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BU of 6td1 by Molmil
Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2
Descriptor: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
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 (1.2 Å)
Cite:Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
6TD9
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BU of 6td9 by Molmil
X-ray structure of mature PA1624 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PA1624, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2019-11-08
Release date:2019-12-04
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The hypothetical periplasmic protein PA1624 from Pseudomonas aeruginosa folds into a unique two-domain structure.
Acta Crystallogr.,Sect.F, 76, 2020
7B5A
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BU of 7b5a by Molmil
X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)2NO3 determined at 1.97 Angstroms
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2020-12-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes.
J.Inorg.Biochem., 218, 2021
5NMT
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BU of 5nmt by Molmil
Dimer structure of Sortilin ectodomain crystal form 1, 2.3A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Leloup, N.O.L, Janssen, B.J.C.
Deposit date:2017-04-07
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release.
Nat Commun, 8, 2017
7B58
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BU of 7b58 by Molmil
X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)Cl determined at 1.72 Angstroms
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2020-12-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes.
J.Inorg.Biochem., 218, 2021
5NN8
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BU of 5nn8 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with acarbose
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M.
Deposit date:2017-04-08
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
7B59
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BU of 7b59 by Molmil
X-ray crystal structure of Sporosarcina pasteurii urease inhibited by Ag(PEt3)Br determined at 1.63 Angstroms
Descriptor: 1,2-ETHANEDIOL, NICKEL (II) ION, OXYGEN ATOM, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2020-12-03
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Kinetic and structural analysis of the inactivation of urease by mixed-ligand phosphine halide Ag(I) complexes.
J.Inorg.Biochem., 218, 2021
5N98
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BU of 5n98 by Molmil
Crystal Structure of Drosophila DHX36 helicase in complex with TAGGGTTTT
Descriptor: CG9323, isoform A, DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*TP*T)-3'), ...
Authors:Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G.
Deposit date:2017-02-24
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.756 Å)
Cite:Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model.
Structure, 26, 2018
5N9S
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BU of 5n9s by Molmil
TTK kinase domain in complex with BAY 1161909
Descriptor: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, Dual specificity protein kinase TTK
Authors:Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R.
Deposit date:2017-02-27
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
5NO1
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BU of 5no1 by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ407 (compound 5g)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Pye, V.E, Cherepanov, P.
Deposit date:2017-04-10
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Optimization of HIV Integrase Strand Transfer Inhibitors.
J. Med. Chem., 60, 2017

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PDB entries from 2024-08-28

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