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8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2022-05-26
Release date:2023-03-22
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023
6R48
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BU of 6r48 by Molmil
Crystal structure of LPOR (Synechocystis) complexed with NADPH at 1.87A resolution.
Descriptor: CHLORIDE ION, Light-dependent protochlorophyllide reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6R46
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BU of 6r46 by Molmil
Crystal structure of LPOR (Thermosynechococcus elongatus) complexed with NADP+ at 2.5A resolution
Descriptor: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase, ...
Authors:Zhou, A, Feng, L.
Deposit date:2019-03-22
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6RNV
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BU of 6rnv by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Descriptor: CHLORIDE ION, Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR)
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
6RFU
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BU of 6rfu by Molmil
In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase
Authors:Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C.
Deposit date:2019-04-16
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
7UIE
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BU of 7uie by Molmil
Crystal structure of HcE-JLE-G6
Descriptor: Botulinum neurotoxin E heavy chain, JLE-G6
Authors:Jin, R, Lam, K.
Deposit date:2022-03-29
Release date:2023-04-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
Descriptor: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
6RNW
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BU of 6rnw by Molmil
The crystal structure of Thermosynechococcus elongatus protochlorophyllide oxidoreductase (POR) in complex with NADP.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-protochlorophyllide oxidoreductase
Authors:Levy, C.W.
Deposit date:2019-05-09
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis for enzymatic photocatalysis in chlorophyll biosynthesis.
Nature, 574, 2019
3K3J
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BU of 3k3j by Molmil
P38alpha bound to novel DFG-out compound PF-00416121
Descriptor: 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
5TDK
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BU of 5tdk by Molmil
RNA decamer duplex with eight 2'-5'-linkages
Descriptor: RNA (5'-R(*CP*CP*GP*GP*CP*GP*CP*CP*GP*G)-3'), STRONTIUM ION
Authors:Luo, Z, Sheng, J.
Deposit date:2016-09-19
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural insights into RNA duplexes with multiple 2 -5 -linkages.
Nucleic Acids Res., 45, 2017
5GP0
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BU of 5gp0 by Molmil
Crystal structure of geraniol-NUDX1 complex
Descriptor: GERANYL DIPHOSPHATE, GLYCEROL, Nudix hydrolase 1
Authors:Liu, J, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-07-30
Release date:2017-10-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Structural Insights into the Substrate Recognition Mechanism of Arabidopsis GPP-Bound NUDX1 for Noncanonical Monoterpene Biosynthesis.
Mol Plant, 11, 2018
7FBD
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BU of 7fbd by Molmil
De novo design protein D53 with MBP tag
Descriptor: Maltodextrin-binding protein,De novo design protein D53
Authors:Bin, H.
Deposit date:2021-07-09
Release date:2021-12-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBB
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BU of 7fbb by Molmil
De novo design protein D12 with MBP tag
Descriptor: Maltodextrin-binding protein,de novo designed protein D12
Authors:Bin, H.
Deposit date:2021-07-09
Release date:2021-12-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7FBC
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BU of 7fbc by Molmil
De novo design protein D22 with MBP tag
Descriptor: Maltodextrin-binding protein,De novo design protein D22
Authors:Bin, H.
Deposit date:2021-07-09
Release date:2021-12-22
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
Authors:Gan, J, Zhang, W.
Deposit date:2023-12-19
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8XIG
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BU of 8xig by Molmil
The crystal structure of the AEP domain of MPXV E5
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
Authors:Gan, J, Zhang, W.
Deposit date:2023-12-19
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
4UB0
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BU of 4ub0 by Molmil
New design for monovalent bispecific IgG through cysteine engineering of the CH1-CL interface
Descriptor: IgG1, heavy chain, light chain
Authors:Oganesyan, V.Y, Dall'Acqua, W.F.
Deposit date:2014-08-11
Release date:2015-07-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improving target cell specificity using a novel monovalent bispecific IgG design.
Mabs, 7, 2015
7KSG
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BU of 7ksg by Molmil
SARS-CoV-2 spike in complex with nanobodies E
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody against SARS-CoV-2 glycoprotein, Spike glycoprotein
Authors:Hallberg, B.M, Das, H.
Deposit date:2020-11-22
Release date:2021-01-20
Last modified:2021-06-30
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structure-guided multivalent nanobodies block SARS-CoV-2 infection and suppress mutational escape.
Science, 371, 2021
8JPA
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BU of 8jpa by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2023-06-11
Release date:2023-06-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8X6B
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BU of 8x6b by Molmil
Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG
Authors:Hu, S.T, Han, P, Wang, H, Qi, J.X.
Deposit date:2023-11-21
Release date:2024-04-24
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2.
Structure, 32, 2024
8F0I
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BU of 8f0i by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody COVA309-22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA309-22 heavy chain, COVA309-22 light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2022-11-03
Release date:2023-09-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Broad SARS-CoV-2 neutralization by monoclonal and bispecific antibodies derived from a Gamma-infected individual.
Iscience, 26, 2023
5W5J
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BU of 5w5j by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases
Descriptor: N-(2-chlorophenyl)pyrazolo[1,5-a]pyridine-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017
5UXZ
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BU of 5uxz by Molmil
X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-02-23
Release date:2017-03-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
5UY1
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BU of 5uy1 by Molmil
X-ray crystal structure of apo Halotag
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase
Authors:Dunham, N.P, Boal, A.K.
Deposit date:2017-02-23
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
5W5O
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BU of 5w5o by Molmil
Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases.
Descriptor: 4-{6-(tert-butylsulfonyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl}-6-chloropyridin-2-amine, Receptor-interacting serine/threonine-protein kinase 2
Authors:Kreusch, A, Spraggon, G.
Deposit date:2017-06-15
Release date:2017-10-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
ACS Med Chem Lett, 8, 2017

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