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6OL9
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BU of 6ol9 by Molmil
Structure of the M5 muscarinic acetylcholine receptor (M5-T4L) bound to tiotropium
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ...
Authors:Vuckovic, Z, Christopoulos, A, Thal, D.M.
Deposit date:2019-04-16
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Crystal structure of the M5muscarinic acetylcholine receptor.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ANE
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BU of 6ane by Molmil
Crystal Structure of Ideonella sakaiensis PET Hydrolase
Descriptor: MAGNESIUM ION, Poly(ethylene terephthalate) hydrolase
Authors:Galaz-Davison, P, Sotomayor, M, Parra, L.P, Ramirez-Sarmiento, C.A.
Deposit date:2017-08-12
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase.
Biophys. J., 114, 2018
7JR7
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BU of 7jr7 by Molmil
Cryo-EM structure of ABCG5/G8 in complex with Fab 2E10 and 11F4
Descriptor: ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8, Fab 11F4 heavy chain, ...
Authors:Huang, C.S, Yu, X, Min, X, Wang, Z, Zhang, H.
Deposit date:2020-08-11
Release date:2021-04-07
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of ABCG5/G8 in complex with modulating antibodies
Commun Biol, 4, 2021
6ANU
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BU of 6anu by Molmil
Cryo-EM structure of F-actin complexed with the beta-III-spectrin actin-binding domain
Descriptor: Actin, cytoplasmic 1, Spectrin beta chain, ...
Authors:Wang, F, Orlova, A, Avery, A.W, Hays, T.S, Egelman, E.H.
Deposit date:2017-08-14
Release date:2017-11-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Structural basis for high-affinity actin binding revealed by a beta-III-spectrin SCA5 missense mutation.
Nat Commun, 8, 2017
2MKB
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BU of 2mkb by Molmil
Structure of NS2(113-137) GBVB protein
Descriptor: Protease NS2-3
Authors:Montserret, R, Martin, A, Penin, F.
Deposit date:2014-02-04
Release date:2014-05-07
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NS2 Proteins of GB Virus B and Hepatitis C Virus Share Common Protease Activities and Membrane Topologies.
J.Virol., 88, 2014
6IJQ
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BU of 6ijq by Molmil
Solution structure of BCL-XL bound to P73-TAD peptide
Descriptor: Bcl-2-like protein 1,Bcl-2-like protein 1, Tumor protein p73
Authors:Yoon, M.-K, Ha, J.-H, Lee, M.-S, Chi, S.-W.
Deposit date:2018-10-11
Release date:2018-11-21
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Cytoplasmic pro-apoptotic function of the tumor suppressor p73 is mediated through a modified mode of recognition of the anti-apoptotic regulator Bcl-XL.
J. Biol. Chem., 293, 2018
2Z3I
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BU of 2z3i by Molmil
Crystal structure of blasticidin S deaminase (BSD) mutant E56Q complexed with substrate
Descriptor: BLASTICIDIN S, Blasticidin-S deaminase, CACODYLATE ION, ...
Authors:Kumasaka, T, Yamamoto, M, Furuichi, M, Nakasako, M, Kimura, M, Yamaguchi, I, Ueki, T.
Deposit date:2007-06-04
Release date:2007-10-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of blasticidin S deaminase (BSD): implications for dynamic properties of catalytic zinc
J.Biol.Chem., 282, 2007
6AV3
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BU of 6av3 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine
Descriptor: 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
6OUO
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BU of 6ouo by Molmil
RF2 accommodated state bound 70S complex at long incubation time
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J.
Deposit date:2019-05-05
Release date:2019-06-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
6IYX
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BU of 6iyx by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: BROMIDE ION, CALCIUM ION, Trimeric intracellular cation channel type A
Authors:Zeng, Y, Wang, X.H, Gao, F, Su, M, Chen, Y.H.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ5
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BU of 6iz5 by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
Descriptor: Trimeric intracellular cation channel type B-B
Authors:Li, D, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.701 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OWH
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BU of 6owh by Molmil
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ...
Authors:Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B.
Deposit date:2019-05-09
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
6OWP
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BU of 6owp by Molmil
Horse liver F93W alcohol dehydrogenase complexed with NAD and trifluoroethanol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
Authors:Plapp, B.V.
Deposit date:2019-05-10
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Substitutions of Amino Acid Residues in the Substrate Binding Site of Horse Liver Alcohol Dehydrogenase Have Small Effects on the Structures but Significantly Affect Catalysis of Hydrogen Transfer.
Biochemistry, 59, 2020
6OM6
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BU of 6om6 by Molmil
Structure of trans-translation inhibitor bound to E. coli 70S ribosome with P site tRNA
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Hoffer, E.D, Mehrani, A, Keiler, K.C, Stagg, S.M, Dunham, C.M.
Deposit date:2019-04-18
Release date:2021-02-10
Last modified:2021-09-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:trans-Translation inhibitors bind to a novel site on the ribosome and clear Neisseria gonorrhoeae in vivo.
Nat Commun, 12, 2021
6J1Z
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BU of 6j1z by Molmil
WWP2 semi-open conformation
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Liu, Z.H.
Deposit date:2018-12-30
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A multi-lock inhibitory mechanism for fine-tuning enzyme activities of the HECT family E3 ligases.
Nat Commun, 10, 2019
2Z4E
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BU of 2z4e by Molmil
Crystal Structure of D-Dimer from Human Fibrin Complexed with Gly-His-Arg-Pro-Tyr-amide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Doolittle, R.F, Pandi, L.
Deposit date:2007-06-16
Release date:2007-10-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini
Biochemistry, 46, 2007
6AUE
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BU of 6aue by Molmil
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-b
Descriptor: N-biotin-C-Co4(mu3-O)4(OAc)(Py)4(H2O)3-beta-alanine, Streptavidin
Authors:Olshansky, L, Vallapurakal, J, Huerta-Lavorie, R, Nguyen, A.I, Tilley, T.D, Borovik, A.S.
Deposit date:2017-08-31
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Artificial Metalloproteins Containing Co
J. Am. Chem. Soc., 140, 2018
2Z5J
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BU of 2z5j by Molmil
Free Transportin 1
Descriptor: Transportin-1
Authors:Imasaki, T, Shimizu, T, Hashimoto, H, Hidaka, Y, Yamada, M, Sato, M.
Deposit date:2007-07-13
Release date:2007-10-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural basis for substrate recognition and dissociation by human transportin 1
Mol.Cell, 28, 2007
6AV1
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BU of 6av1 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Musayev, F.N, Safo, M.K, Light, D.R.
Deposit date:2020-09-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
6IZ6
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BU of 6iz6 by Molmil
Crystal Structure Analysis of TRIC counter-ion channels in calcium release
Descriptor: CALCIUM ION, Trimeric intracellular cation channel type B-B
Authors:Liu, X.L, Wang, X.H, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-18
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.293 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZF
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BU of 6izf by Molmil
Structural basis for activity of TRIC counter-ion channels in calcium release
Descriptor: (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H.
Deposit date:2018-12-19
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6AV0
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BU of 6av0 by Molmil
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile
Descriptor: 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:LI, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017
2M04
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BU of 2m04 by Molmil
Solution structure of BCL-xL in complex with PUMA BH3 peptide
Descriptor: Bcl-2-binding component 3, Bcl-2-like protein 1
Authors:Viacava Follis, A, Royappa, G, Kriwacki, R.W.
Deposit date:2012-10-19
Release date:2013-01-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
6AWQ
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BU of 6awq by Molmil
Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site
Descriptor: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ...
Authors:Coleman, J.A, Gouaux, E.
Deposit date:2017-09-06
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.046 Å)
Cite:Structural basis for recognition of diverse antidepressants by the human serotonin transporter.
Nat. Struct. Mol. Biol., 25, 2018

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