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4WHZ
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BU of 4whz by Molmil
Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives
Descriptor: 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl}benzamide, Mitogen-activated protein kinase 10
Authors:Park, H, LoGrasso, P.
Deposit date:2014-09-24
Release date:2014-11-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and Synthesis of Highly Potent and Isoform Selective JNK3 Inhibitors: SAR Studies on Aminopyrazole Derivatives.
J.Med.Chem., 57, 2014
6UES
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BU of 6ues by Molmil
Apo SAM-IV Riboswitch
Descriptor: RNA (119-MER)
Authors:Zhang, K, Li, S, Kappel, K, Pintilie, G, Su, Z, Mou, T, Schmid, M, Das, R, Chiu, W.
Deposit date:2019-09-23
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of a 40 kDa SAM-IV riboswitch RNA at 3.7 angstrom resolution.
Nat Commun, 10, 2019
7WUU
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BU of 7wuu by Molmil
CryoEM structure of loose sNS1 tetramer
Descriptor: Core protein
Authors:Shu, B, Lok, S.M.
Deposit date:2022-02-09
Release date:2022-12-21
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:CryoEM structures of the multimeric secreted NS1, a major factor for dengue hemorrhagic fever.
Nat Commun, 13, 2022
6UFR
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BU of 6ufr by Molmil
Structure of recombinantly assembled E46K alpha-synuclein fibrils
Descriptor: Alpha-synuclein
Authors:Eisenberg, D.S, Boyer, D.R, Sawaya, M.R, Li, B, Jiang, L.
Deposit date:2019-09-24
Release date:2020-02-19
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The alpha-synuclein hereditary mutation E46K unlocks a more stable, pathogenic fibril structure.
Proc.Natl.Acad.Sci.USA, 117, 2020
7XAQ
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BU of 7xaq by Molmil
Cryo-EM structure of PvrA-DNA complex
Descriptor: Probable transcriptional regulator, fadD1
Authors:Zhu, Y.B, Su, Z.M, Bao, R.
Deposit date:2022-03-18
Release date:2023-04-26
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:The Pseudomonas aeruginosa regulator PvrA binds cooperatively to multiple pseudo-palindromic sites to efficiently stimulate target gene
To be published
4WLT
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BU of 4wlt by Molmil
High pressure protein crystallography of hen egg white lysozyme at 190 MPa
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Yamada, H, Nagae, T, Watanabe, N.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
6UH1
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BU of 6uh1 by Molmil
Structure of the EVA71 strain 11316 capsid
Descriptor: SPHINGOSINE, VP1, VP2, ...
Authors:Lee, H, Hafenstein, S.
Deposit date:2019-09-26
Release date:2019-12-18
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors.
J.Med.Chem., 63, 2020
7XL8
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BU of 7xl8 by Molmil
Human Cx36/GJD2 (N-terminal deletion mutant) gap junction channel in soybean lipids (D6 symmetry)
Descriptor: 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction delta-2 protein
Authors:Lee, S.N, Cho, H.J, Jeong, H, Ryu, B, Lee, H.J, Lee, H.H, Woo, J.S.
Deposit date:2022-04-21
Release date:2023-08-30
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of human Cx36/GJD2 neuronal gap junction channel.
Nat Commun, 14, 2023
6UKD
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BU of 6ukd by Molmil
Co-complex of S. pyogenes 10782 streptopain bound with a nitrile-based specific covalent inhibitor
Descriptor: NITRATE ION, Streptopain, benzyl [(2S)-1-(3-nitrophenyl)-3-oxobutan-2-yl]carbamate
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2019-10-04
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:An Irreversible Inhibitor to Probe the Role ofStreptococcus pyogenesCysteine Protease SpeB in Evasion of Host Complement Defenses.
Acs Chem.Biol., 15, 2020
7X1G
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BU of 7x1g by Molmil
Cryo-EM structure of human BTR1 in the inward-facing state at pH 5.5
Descriptor: Isoform 1 of Solute carrier family 4 member 11
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
6UI9
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BU of 6ui9 by Molmil
Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate
Descriptor: ACETYL COENZYME *A, ACLY, OXALOACETATE ION
Authors:Wei, X, Marmorstein, R.
Deposit date:2019-09-30
Release date:2019-12-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular basis for acetyl-CoA production by ATP-citrate lyase
Nat.Struct.Mol.Biol., 27, 2020
7X1J
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BU of 7x1j by Molmil
Cryo-EM structure of human BTR1 in the outward-facing state in the presence of NH4Cl.
Descriptor: Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
7X1H
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BU of 7x1h by Molmil
Cryo-EM structure of human BTR1 in the inward-facing state with R125H mutation
Descriptor: Isoform 1 of Solute carrier family 4 member 11
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-10-04
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
7X1I
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BU of 7x1i by Molmil
Cryo-EM structure of human BTR1 in the outward-facing state.
Descriptor: Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate
Authors:Yin, Y, Lu, Y, Zuo, P.
Deposit date:2022-02-24
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2.
Nat Commun, 14, 2023
6UKN
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BU of 6ukn by Molmil
Cryo-EM structure of the potassium-chloride cotransporter KCC4 in lipid nanodiscs
Descriptor: CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 7, ...
Authors:Reid, M.S, Kern, D.M, Brohawn, S.G.
Deposit date:2019-10-05
Release date:2020-06-10
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Cryo-EM structure of the potassium-chloride cotransporter KCC4 in lipid nanodiscs.
Elife, 9, 2020
7XFJ
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BU of 7xfj by Molmil
Structure of nucleosome-AAG complex (T-50I, post-catalytic state)
Descriptor: DNA (152-MER), DNA-3-methyladenine glycosylase, Histone H2A type 1, ...
Authors:Zheng, L, Tsai, B, Gao, N.
Deposit date:2022-04-01
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome.
Cell Discov, 9, 2023
7X30
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BU of 7x30 by Molmil
Capsid structure of Staphylococcus jumbo bacteriophage S6
Descriptor: Hoc-like protein ORF90, Major structural protein ORF12
Authors:Koibuchi, W, Uchiyama, J, Matsuzaki, S, Murata, K, Iwasaki, K, Miyazaki, N.
Deposit date:2022-02-27
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Capsid structure of Staphylococcus jumbo bacteriophage S6
To Be Published
7X35
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BU of 7x35 by Molmil
Cryo-EM structure of Coxsackievirus B1 A-particle in complex with nAb 8A10 (CVB1-A:8A10)
Descriptor: 8A10 heavy chain, 8A10 light chain, VP2, ...
Authors:Zheng, Q, Zhu, R, Sun, H, Cheng, T, Li, S, Xia, N.
Deposit date:2022-02-28
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for the synergistic neutralization of coxsackievirus B1 by a triple-antibody cocktail.
Cell Host Microbe, 30, 2022
6UNF
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BU of 6unf by Molmil
Pseudomonas fluorescens isocyanide hydratase post-catalysis at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA
Authors:Dasgupta, M, van den Bedem, H, Wilson, M.A.
Deposit date:2019-10-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
4WKE
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BU of 4wke by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (compound 10)
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
Authors:Durbin, J.D.
Deposit date:2014-10-02
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
4WM6
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BU of 4wm6 by Molmil
High pressure protein crystallography of hen egg white lysozyme at 950 MPa
Descriptor: Lysozyme C, SODIUM ION
Authors:Yamada, H, Watanabe, N, Nagae, T.
Deposit date:2014-10-08
Release date:2015-04-08
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-pressure protein crystallography of hen egg-white lysozyme
Acta Crystallogr.,Sect.D, 71, 2015
6UD1
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BU of 6ud1 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
Descriptor: CHLORIDE ION, Streptavidin
Authors:Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
Deposit date:2019-09-18
Release date:2021-02-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
7YFY
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BU of 7yfy by Molmil
Cryo-EM structure of the Mili-piRNA- target ternary complex
Descriptor: MAGNESIUM ION, Piwi-like protein 2, RNA (5'-R(P*CP*CP*AP*UP*GP*UP*UP*GP*AP*UP*GP*GP*UP*AP*A)-3'), ...
Authors:Li, Z.Q, Liu, H.B, Wu, J.P, Shen, E.Z.
Deposit date:2022-07-09
Release date:2024-01-24
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mammalian PIWI-piRNA-target complexes reveal features for broad and efficient target silencing.
Nat.Struct.Mol.Biol., 2024
4WKI
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BU of 4wki by Molmil
Crystal structure of human ADAMTS-4 in complex with inhibitor 5-CHLORO-N-{[(4S)-4-(1-METHYL-1H-IMIDAZOL-2-YL)-2,5-DIOXOIMIDAZOLIDIN-4-YL]METHYL}-1-BENZOFURAN-2-CARBOXAMIDE (compound 11)
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-{[(4S)-4-(1-methyl-1H-imidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide, A disintegrin and metalloproteinase with thrombospondin motifs 4, ...
Authors:Durbin, J.D.
Deposit date:2014-10-02
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
J.Med.Chem., 57, 2014
6TZP
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BU of 6tzp by Molmil
W96F Oxalate Decarboxylase (B. subtilis)
Descriptor: MANGANESE (II) ION, Oxalate decarboxylase
Authors:Pastore, A.J, Burg, M.J, Twahir, U.T, Bruner, S.D, Angerhofer, A.
Deposit date:2019-08-12
Release date:2021-02-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Oxalate decarboxylase uses electron hole hopping for catalysis.
J.Biol.Chem., 297, 2021

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