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6QGY
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BU of 6qgy by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with nanobody B12
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, NanoB12, Outer membrane protein assembly factor BamA
Authors:Hartmann, J.-B, Kaur, H, Jakob, R.P, Zahn, M, Zimmermann, I, Seeger, M, Maier, T, Hiller, S.
Deposit date:2019-01-14
Release date:2019-06-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.509 Å)
Cite:Identification of conformation-selective nanobodies against the membrane protein insertase BamA by an integrated structural biology approach.
J.Biomol.Nmr, 73, 2019
6UAB
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BU of 6uab by Molmil
Human Mcl-1 in complex with a modified unnatural Bim BH3 peptide
Descriptor: ADAMANTANE, Induced myeloid leukemia cell differentiation protein Mcl-1, modified unnatural Bim BH3 peptide
Authors:Mandal, T, Grant, R.A, Keating, A.E.
Deposit date:2019-09-10
Release date:2020-09-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibitor peptides against Mcl-1 containing non-natural amino acids show potent apoptotic response.
To Be Published
8E58
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BU of 8e58 by Molmil
Rabbit L-type voltage-gated calcium channel Cav1.1 in the presence of Amiodarone and 1 mM MNI-1 at 3.0 Angstrom resolution
Descriptor: (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gao, S, Yao, X, Yan, N.
Deposit date:2022-08-20
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for the severe adverse interaction of sofosbuvir and amiodarone on L-type Ca v channels.
Cell, 185, 2022
6QHV
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BU of 6qhv by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.715 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
4BD8
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BU of 4bd8 by Molmil
Bax domain swapped dimer induced by BimBH3 with CHAPS
Descriptor: 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-05
Release date:2013-02-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
4AV6
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BU of 4av6 by Molmil
Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase at 4 A in complex with phosphate and magnesium
Descriptor: K(+)-STIMULATED PYROPHOSPHATE-ENERGIZED SODIUM PUMP, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kajander, T, Kellosalo, J, Kogan, K, Pokharel, K, Goldman, A.
Deposit date:2012-05-23
Release date:2012-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (4 Å)
Cite:The Structure and Catalytic Cycle of a Sodium-Pumping Pyrophosphatase.
Science, 337, 2012
6QKS
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BU of 6qks by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
6UCU
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BU of 6ucu by Molmil
Cryo-EM structure of the mitochondrial TOM complex from yeast (dimer)
Descriptor: DODECYL-BETA-D-MALTOSIDE, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
Authors:Park, E, Tucker, K.
Deposit date:2019-09-17
Release date:2019-11-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structure of the mitochondrial protein-import channel TOM complex at near-atomic resolution.
Nat.Struct.Mol.Biol., 26, 2019
6TXS
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BU of 6txs by Molmil
The structure of the FERM domain and helical linker of human moesin bound to a CD44 peptide
Descriptor: CD44 antigen, Moesin
Authors:Bradshaw, W.J, Katis, V.L, Kelly, J.J, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-01-14
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
4AW6
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BU of 4aw6 by Molmil
Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 (FACE1)
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CAAX PRENYL PROTEASE 1 HOMOLOG, ZINC ION
Authors:Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P.
Deposit date:2012-05-31
Release date:2012-07-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
6QLT
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BU of 6qlt by Molmil
Galectin-3C in complex with fluoroaryltriazole monothiogalactoside derivative-7
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, DI(HYDROXYETHYL)ETHER, Galectin-3
Authors:Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
Deposit date:2019-02-01
Release date:2019-07-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure and Energetics of Ligand-Fluorine Interactions with Galectin-3 Backbone and Side-Chain Amides: Insight into Solvation Effects and Multipolar Interactions.
Chemmedchem, 14, 2019
6U06
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BU of 6u06 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
Descriptor: 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
Authors:Wan, X.B, Shoichet, B.K, Taunton, J.
Deposit date:2019-08-13
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
2KYK
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BU of 2kyk by Molmil
The sandwich region between two LMP2A PY motif regulates the interaction between AIP4WW2domain and PY motif
Descriptor: E3 ubiquitin-protein ligase Itchy homolog
Authors:Seo, M, Park, S, Seok, S, Kim, J, Cha, M, Lee, B.
Deposit date:2010-05-28
Release date:2011-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The sandwich region between two LMP2A PY motif regulates the interaction between AIP4WW2domain and PY motif
To be Published
8EFH
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BU of 8efh by Molmil
Helical reconstruction of the human cardiac actin-tropomyosin-myosin complex in complex with ADP-Mg2+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ...
Authors:Doran, M.H, Lehman, W, Rynkiewicz, M.J.
Deposit date:2022-09-08
Release date:2023-01-11
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Conformational changes linked to ADP release from human cardiac myosin bound to actin-tropomyosin.
J.Gen.Physiol., 155, 2023
6QPB
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BU of 6qpb by Molmil
Cryo-EM structure of calcium-free mTMEM16F lipid scramblase in digitonin
Descriptor: 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-6
Authors:Alvadia, C, Lim, N.K, Clerico Mosina, V, Oostergetel, G.T, Dutzler, R, Paulino, C.
Deposit date:2019-02-13
Release date:2019-03-06
Last modified:2019-03-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures and functional characterization of the murine lipid scramblase TMEM16F.
Elife, 8, 2019
6U37
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BU of 6u37 by Molmil
Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B
Descriptor: (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A, Gerlits, O, Radic, Z.
Deposit date:2019-08-21
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
J.Biol.Chem., 295, 2020
4BD7
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BU of 4bd7 by Molmil
Bax domain swapped dimer induced by octylmaltoside
Descriptor: APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION
Authors:Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M.
Deposit date:2012-10-05
Release date:2013-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis.
Cell(Cambridge,Mass.), 152, 2013
8DWI
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BU of 8dwi by Molmil
Molecular Mechanism of Sialic Acid Transport Mediated by Sialin
Descriptor: Sialin
Authors:Hu, W, Zheng, H.
Deposit date:2022-08-01
Release date:2023-01-25
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The molecular mechanism of sialic acid transport mediated by Sialin.
Sci Adv, 9, 2023
4B0T
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BU of 4b0t by Molmil
Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PUP--PROTEIN LIGASE
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
6U7E
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BU of 6u7e by Molmil
HCoV-229E RBD Class III in complex with human APN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Tomlinson, A.C.A, Li, Z, Rini, J.M.
Deposit date:2019-09-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
6UC0
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BU of 6uc0 by Molmil
Isolated S3D-cofilin bound to an actin filament
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V.
Deposit date:2019-09-13
Release date:2020-01-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments.
Proc.Natl.Acad.Sci.USA, 117, 2020
6QSN
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BU of 6qsn by Molmil
Crystal structure of Yellow fever virus polymerase NS5A
Descriptor: Genome polyprotein, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Boura, E, Dubankova, A.
Deposit date:2019-02-21
Release date:2019-10-16
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Structure of the yellow fever NS5 protein reveals conserved drug targets shared among flaviviruses.
Antiviral Res., 169, 2019
4BP2
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BU of 4bp2 by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R.
Deposit date:1990-09-07
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
6U9H
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BU of 6u9h by Molmil
Arabidopsis thaliana acetohydroxyacid synthase complex
Descriptor: Acetolactate synthase small subunit 2, chloroplastic, Acetolactate synthase, ...
Authors:Guddat, L.W, Low, Y.S, Rao, Z.
Deposit date:2019-09-08
Release date:2020-07-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structures of fungal and plant acetohydroxyacid synthases.
Nature, 586, 2020
4BXC
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BU of 4bxc by Molmil
Resolving the activation site of positive regulators in plant phosphoenolpyruvate carboxylase
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-O-phosphono-alpha-D-glucopyranose, ...
Authors:Schlieper, D, Foerster, K, Paulus, J.K, Groth, G.
Deposit date:2013-07-10
Release date:2013-10-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Resolving the Activation Site of Positive Regulators in Plant Phosphoenolpyruvate Carboxylase.
Mol.Plant, 7, 2014

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