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7RIQ
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BU of 7riq by Molmil
RNA polymerase II elongation complex scaffold 1 without polyamide
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Dervan, P.B, Wang, D.
Deposit date:2021-07-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
6Q5T
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BU of 6q5t by Molmil
Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) - apo form
Descriptor: hydrolase
Authors:Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B.
Deposit date:2018-12-09
Release date:2019-05-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation.
Iucrj, 6, 2019
7A25
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BU of 7a25 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike protein bound to neutralizing sybodies (Sb23)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-08-16
Release date:2020-11-25
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Selection, biophysical and structural analysis of synthetic nanobodies that effectively neutralize SARS-CoV-2.
Nat Commun, 11, 2020
6WAA
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BU of 6waa by Molmil
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ...
Authors:Noeske, J, Shu, W, Bellamacina, C.
Deposit date:2020-03-24
Release date:2020-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.
J.Med.Chem., 63, 2020
7RRG
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BU of 7rrg by Molmil
Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Ma, J, Baker, B.M.
Deposit date:2021-08-09
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Immunogenicity and therapeutic targeting of a public neoantigen derived from mutated PIK3CA.
Nat Med, 28, 2022
6ZMU
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BU of 6zmu by Molmil
Crystal structure of the germline-specific thioredoxin protein Deadhead (Thioredoxin-1) from Drospohila melanogaster, P43212
Descriptor: SODIUM ION, SULFATE ION, Thioredoxin-1
Authors:Baginski, B, Pluta, R, Macias, M.J.
Deposit date:2020-07-03
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins.
Iucrj, 8, 2021
6UND
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BU of 6und by Molmil
Pseudomonas fluorescens isocyanide hydratase thioimidate intermediate at 298 K XFEL data
Descriptor: Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine
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
8E8U
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BU of 8e8u by Molmil
Structure of the LOR domain of human AASS
Descriptor: Alpha-aminoadipic semialdehyde synthase, mitochondrial, MAGNESIUM ION
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8G3W
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BU of 8g3w by Molmil
MBP-Mcl1 in complex with ligand 28
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Maltodextrin-binding protein, ...
Authors:Miller, B.R, Shaffer, P.
Deposit date:2023-02-08
Release date:2023-05-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
8E8T
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BU of 8e8t by Molmil
Structure of the short LOR domain of human AASS
Descriptor: Alpha-aminoadipic semialdehyde synthase, mitochondrial
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8E8V
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BU of 8e8v by Molmil
Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide
Descriptor: 1-ETHYL-PYRROLIDINE-2,5-DIONE, Alpha-aminoadipic semialdehyde synthase, mitochondrial
Authors:Khamrui, S, Lazarus, M.B.
Deposit date:2022-08-25
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Open Biology, 12, 2022
8G3T
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BU of 8g3t by Molmil
MBP-Mcl1 in complex with ligand 12
Descriptor: (1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione, 1,2-ETHANEDIOL, FORMIC ACID, ...
Authors:Miller, B.R, Shaffer, P.
Deposit date:2023-02-08
Release date:2023-05-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of an Oral, Beyond-Rule-of-Five Mcl-1 Protein-Protein Interaction Modulator with the Potential of Treating Hematological Malignancies.
J.Med.Chem., 66, 2023
5NP2
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BU of 5np2 by Molmil
Abl1 SH3 pTyr89/134
Descriptor: Tyrosine-protein kinase ABL1
Authors:Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
Deposit date:2017-04-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
6OIA
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BU of 6oia by Molmil
(1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase
Descriptor: (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ...
Authors:Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B.
Deposit date:2019-04-09
Release date:2019-09-18
Last modified:2020-04-01
Method:X-RAY DIFFRACTION (1.777 Å)
Cite:Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
6XSO
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BU of 6xso by Molmil
GH5-4 broad specificity endoglucanase from an uncultured bacterium
Descriptor: (2S)-2-hydroxybutanedioic acid, Cellulase, DI(HYDROXYETHYL)ETHER, ...
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2020-07-15
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
6XRA
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BU of 6xra by Molmil
Distinct conformational states of SARS-CoV-2 spike protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Rits-Volloch, S, Chen, B.
Deposit date:2020-07-11
Release date:2020-07-22
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Distinct conformational states of SARS-CoV-2 spike protein.
Science, 369, 2020
6OPQ
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BU of 6opq by Molmil
CD4- and 17-bound HIV-1 Env B41 SOSIP frozen with LMNG
Descriptor: 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2019-04-25
Release date:2020-10-21
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:A Strain-Specific Inhibitor of Receptor-Bound HIV-1 Targets a Pocket near the Fusion Peptide.
Cell Rep, 33, 2020
1HDD
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BU of 1hdd by Molmil
CRYSTAL STRUCTURE OF AN ENGRAILED HOMEODOMAIN-DNA COMPLEX AT 2.8 ANGSTROMS RESOLUTION: A FRAMEWORK FOR UNDERSTANDING HOMEODOMAIN-DNA INTERACTIONS
Descriptor: DNA (5'-D(*AP*TP*TP*AP*GP*GP*TP*AP*AP*TP*TP*AP*CP*AP*TP*GP*G P*CP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*TP*AP*C P*CP*TP*AP*A)-3'), PROTEIN (ENGRAILED HOMEODOMAIN)
Authors:Kissinger, C.R, Liu, B, Martin-Blanco, E, Kornberg, T.B, Pabo, C.O.
Deposit date:1991-09-16
Release date:1992-01-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of an engrailed homeodomain-DNA complex at 2.8 A resolution: a framework for understanding homeodomain-DNA interactions.
Cell(Cambridge,Mass.), 63, 1990
5NN5
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BU of 5nn5 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with 1-deoxynojirimycin
Descriptor: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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 Å)
Cite:Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease.
Nat Commun, 8, 2017
8GCJ
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BU of 8gcj by Molmil
PCNA
Descriptor: Proliferating cell nuclear antigen
Authors:Vandborg, B.C, Bruning, J.B.
Deposit date:2023-03-01
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of apo pcna
To Be Published
8G7B
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BU of 8g7b by Molmil
SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, Spike glycoprotein
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SARS-CoV-2 spike/Nb3 complex with 1 RBD up and 2 Nb3
To Be Published
6PZY
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BU of 6pzy by Molmil
CryoEM derived model of NA-73 Fab in complex with N9 Shanghai2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NA-73 fragment antibody heavy chain, ...
Authors:Ward, A.B, Turner, H.L, Zhu, X.
Deposit date:2019-08-01
Release date:2019-12-04
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
8G7A
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BU of 8g7a by Molmil
SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-3, Spike glycoprotein
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:SARS-CoV-2 spike/Nb3 complex with 2 RBDs up and 3 Nb3 (local refinement)
To Be Published
8G7C
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BU of 8g7c by Molmil
local refinement of SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-4, Spike glycoprotein
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:local refinement of SARS-CoV-2 spike/Nb4 complex with 2 RBDs up and 3 Nb4 bound
To Be Published
8G78
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BU of 8g78 by Molmil
Local refinement of SARS-CoV-2 spike/nanobody mixture complex around NTD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanosota-5, Nanosota-6, ...
Authors:Ye, G, Bu, F, Liu, B, Li, F.
Deposit date:2023-02-16
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Local refinement of SARS-CoV-2 spike/nanobody mixture complex around NTD
To Be Published

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