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6N9J
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BU of 6n9j by Molmil
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron in complex with an irreversible peptide inhibitor
Descriptor: Clostripain-related protein, Covalently bound peptide inhibitor
Authors:Wolan, D.W, Gonzalez-Paez, G.E, Roncase, E.J.
Deposit date:2018-12-03
Release date:2019-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:X-ray Structures of Two Bacteroides thetaiotaomicron C11 Proteases in Complex with Peptide-Based Inhibitors.
Biochemistry, 58, 2019
6TQA
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BU of 6tqa by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE2 SL RNA motif
Descriptor: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(P*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*(CCC))-3'), ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
6MLB
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BU of 6mlb by Molmil
Crystal structure of the holo retinal-bound domain-swapped dimer Q108K:K40L:T51F mutant of human cellular retinol binding protein II
Descriptor: ACETATE ION, GLYCEROL, RETINAL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2018-09-27
Release date:2019-10-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches.
J.Am.Chem.Soc., 141, 2019
6TPL
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BU of 6tpl by Molmil
D0-D1 domain of Intimin
Descriptor: CHLORIDE ION, Intimin, MAGNESIUM ION
Authors:Weikum, J, Leo, J.C, Morth, J.P.
Deposit date:2019-12-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The extracellular juncture domains in the intimin passenger adopt a constitutively extended conformation inducing restraints to its sphere of action.
Sci Rep, 10, 2020
6M17
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BU of 6m17 by Molmil
The 2019-nCoV RBD/ACE2-B0AT1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Guo, Y.Y, Zhou, Q.
Deposit date:2020-02-24
Release date:2020-03-11
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6K2Q
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BU of 6k2q by Molmil
Aeromonas hydrophila MtaN-2 complexed with adenine
Descriptor: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE
Authors:Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y.
Deposit date:2019-05-15
Release date:2019-05-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Aeromonas hydrophila Cytoplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase.
Biochemistry, 58, 2019
6TNI
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BU of 6tni by Molmil
Structure of FANCD2 homodimer
Descriptor: Uncharacterized protein
Authors:Alcon, P, Shakeel, S, Passmore, L.A.
Deposit date:2019-12-08
Release date:2020-02-19
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:FANCD2-FANCI is a clamp stabilized on DNA by monoubiquitination of FANCD2 during DNA repair.
Nat.Struct.Mol.Biol., 27, 2020
5GS9
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BU of 5gs9 by Molmil
Crystal structure of CASTOR1-arginine
Descriptor: ARGININE, GATS-like protein 3
Authors:Zhang, T, Ding, J.
Deposit date:2016-08-15
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into the arginine-binding specificity of CASTOR1 in amino acid-dependent mTORC1 signaling.
Cell Discov, 2, 2016
5I05
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BU of 5i05 by Molmil
Crystal structure of human BMP9 at 1.87 A resolution
Descriptor: GLYCEROL, Growth/differentiation factor 2
Authors:Saito, T, Bokhove, M, Jovine, L.
Deposit date:2016-02-03
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1.
Cell Rep, 19, 2017
6TQB
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BU of 6tqb by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE1 SL RNA motif
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
2HPI
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BU of 2hpi by Molmil
Eubacterial and Eukaryotic Replicative DNA Polymerases are not Homologous: X-ray Structure of DNA Polymerase III
Descriptor: CHLORIDE ION, DNA polymerase III alpha subunit, MAGNESIUM ION, ...
Authors:Bailey, S, Wing, R.A, Steitz, T.A.
Deposit date:2006-07-17
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of T. aquaticus DNA Polymerase III Is Distinct from Eukaryotic Replicative DNA Polymerases.
Cell(Cambridge,Mass.), 126, 2006
8PDJ
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BU of 8pdj by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z56948267
Descriptor: 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8OV8
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BU of 8ov8 by Molmil
Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP
Descriptor: Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
Authors:Korf, L, Essen, L.-O, Karrer, D, Ruehl, M.
Deposit date:2023-04-25
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Shifting the substrate scope of an ene/yne-reductase by loop engineering
To Be Published
6NWW
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BU of 6nww by Molmil
Crystal structure of the RRM domain of S. pombe Puf1 in the P212121 space group
Descriptor: CHLORIDE ION, Pumilio domain-containing protein C56F2.08c
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2019-02-07
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Distinct RNA-binding modules in a single PUF protein cooperate to determine RNA specificity.
Nucleic Acids Res., 47, 2019
6HZ1
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BU of 6hz1 by Molmil
THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT E243C
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2018-10-22
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8PDH
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BU of 8pdh by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z1742148362
Descriptor: (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
8PDG
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BU of 8pdg by Molmil
The phosphatase and C2 domains of SHIP1 with covalent Z2738285202
Descriptor: DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide
Authors:Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O.
Deposit date:2023-06-12
Release date:2023-06-28
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
6HYW
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BU of 6hyw by Molmil
THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Y119F
Descriptor: ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ...
Authors:Hu, H.D, Delarue, M.
Deposit date:2018-10-22
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5KQV
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BU of 5kqv by Molmil
Insulin receptor ectodomain construct comprising domains L1,CR,L2, FnIII-1 and alphaCT peptide in complex with bovine insulin and FAB 83-14 (REVISED STRUCTURE)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, Insulin receptor,Insulin receptor, ...
Authors:Lawrence, M.C, Smith, B.J, Croll, T.I.
Deposit date:2016-07-06
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:How insulin engages its primary binding site on the insulin receptor.
Nature, 493, 2013
6O1E
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BU of 6o1e by Molmil
The crystal structure of human MORC3 ATPase-CW in complex with AMPPNP
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 3, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Klein, B.J, Zhang, Y, Kutateladze, T.G.
Deposit date:2019-02-19
Release date:2019-03-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Mechanism for autoinhibition and activation of the MORC3 ATPase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6O2M
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BU of 6o2m by Molmil
CDTb Double Heptamer Long Form Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
Descriptor: ADP-ribosyltransferase binding component
Authors:Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
Deposit date:2019-02-24
Release date:2019-10-30
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (6.3 Å)
Cite:Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
2Q7A
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BU of 2q7a by Molmil
Crystal structure of the cell surface heme transfer protein Shp
Descriptor: Cell surface heme-binding protein, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Aranda IV, R, Worley, C.E, Bitto, E, Phillips Jr, G.N.
Deposit date:2007-06-06
Release date:2007-09-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bis-methionyl coordination in the crystal structure of the heme-binding domain of the streptococcal cell surface protein Shp.
J.Mol.Biol., 374, 2007
6NFY
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BU of 6nfy by Molmil
Crystal structure of nonphosphorylated, HPK1 kinase domain in complex with sunitinib in the inactive state.
Descriptor: Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide
Authors:Johnson, E, McTigue, M, Cronin, C.N.
Deposit date:2018-12-21
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation.
J.Biol.Chem., 294, 2019
6IU5
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BU of 6iu5 by Molmil
Crystal structure of cytoplasmic metal binding domain with zinc ions
Descriptor: CHLORIDE ION, VIT1, ZINC ION
Authors:Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O.
Deposit date:2018-11-27
Release date:2019-02-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
5KK3
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BU of 5kk3 by Molmil
Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils
Descriptor: Beta-amyloid protein 42
Authors:Colvin, M.T, Silvers, R, Zhe Ni, Q, Can, T.V, Sergeyev, I, Rosay, M, Donovan, K.J, Michael, B, Wall, J, Linse, S, Griffin, R.G.
Deposit date:2016-06-20
Release date:2016-07-13
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Atomic Resolution Structure of Monomorphic A beta 42 Amyloid Fibrils.
J.Am.Chem.Soc., 138, 2016

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