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8WMD
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BU of 8wmd by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein (closed-2 state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-10-03
Release date:2024-04-24
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 2024
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
Descriptor: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
Authors:Li, W.F, Liu, K, Min, J.R.
Deposit date:2023-07-15
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
Descriptor: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
Authors:Liu, K, Li, W.F, Min, J.R.
Deposit date:2023-07-19
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
2FZN
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BU of 2fzn by Molmil
Structure of the E. coli PutA proline dehydrogenase domain reduced by dithionite and complexed with proline
Descriptor: Bifunctional protein putA, Proline dehydrogenase (EC 1.5.99.8) (Proline oxidase), FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2006-02-09
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hydrogen Bonding Interactions of the 2-OH Ribityl Group and the N(5) Position of the FAD Cofactor Regulate PutA-membrane Associations in Escherichia coli
To be Published
5NX7
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BU of 5nx7 by Molmil
Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate and 2-fluorogeranyl diphosphate
Descriptor: (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ...
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
5NX4
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Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus
Descriptor: GLYCEROL, Pentalenene synthase
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
8XLM
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BU of 8xlm by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike glycoprotein in complex with ACE2 (1-up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-12-26
Release date:2024-05-01
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 2024
2FZM
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BU of 2fzm by Molmil
Structure of the E. coli PutA proline dehydrogenase domain reduced by dithionite and complexed with SO2
Descriptor: Bifunctional protein putA, Proline dehydrogenase (EC 1.5.99.8) (Proline oxidase), FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2006-02-09
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Redox-induced changes in flavin structure and roles of flavin N(5) and the ribityl 2'-OH group in regulating PutA--membrane binding.
Biochemistry, 46, 2007
8XLN
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BU of 8xln by Molmil
Structure of the SARS-CoV-2 EG.5.1 spike RBD in complex with ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Nomai, T, Anraku, Y, Kita, S, Hashiguchi, T, Maenaka, K.
Deposit date:2023-12-26
Release date:2024-05-01
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron EG.5.1 variant.
Microbiol Immunol, 2024
6XPC
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BU of 6xpc by Molmil
Structure of human GGT1 in complex with full GSH molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTATHIONE, ...
Authors:Terzyan, S.S, Hanigan, M.
Deposit date:2020-07-08
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
6U63
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BU of 6u63 by Molmil
Mcl-1 bound to compound 17
Descriptor: 2-{[(naphthalen-2-yl)sulfonyl]amino}-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Stuckey, J.A.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
5NX6
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BU of 5nx6 by Molmil
Crystal structure of 1,8-cineole synthase from Streptomyces clavuligerus in complex with 2-fluoroneryl diphosphate
Descriptor: (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, ...
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
8A63
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BU of 8a63 by Molmil
Cryo-EM structure of Listeria monocytogenes 50S ribosomal subunit.
Descriptor: 1,4-DIAMINOBUTANE, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Koller, T.O, Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2022-06-16
Release date:2022-11-02
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for HflXr-mediated antibiotic resistance in Listeria monocytogenes.
Nucleic Acids Res., 50, 2022
8A5I
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BU of 8a5i by Molmil
Cryo-EM structure of Lincomycin bound to the Listeria monocytogenes 50S ribosomal subunit.
Descriptor: 1,4-DIAMINOBUTANE, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Koller, T.O, Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2022-06-15
Release date:2022-11-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis for HflXr-mediated antibiotic resistance in Listeria monocytogenes.
Nucleic Acids Res., 50, 2022
8A57
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BU of 8a57 by Molmil
Cryo-EM structure of HflXr bound to the Listeria monocytogenes 50S ribosomal subunit.
Descriptor: 1,4-DIAMINOBUTANE, 23S ribosomal RNA, 50S ribosomal protein L11, ...
Authors:Koller, T.O, Crowe-McAuliffe, C, Wilson, D.N.
Deposit date:2022-06-14
Release date:2022-11-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural basis for HflXr-mediated antibiotic resistance in Listeria monocytogenes.
Nucleic Acids Res., 50, 2022
6OE7
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BU of 6oe7 by Molmil
Crystal structure of HMCES cross-linked to DNA abasic site
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ...
Authors:Halabelian, L, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-03-27
Release date:2019-04-24
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
6U6F
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BU of 6u6f by Molmil
The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21
Descriptor: 2-[({4-[(4-tert-butylphenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Yang, Y, Stuckey, J.A, Nikolovska-Coleska, Z.
Deposit date:2019-08-29
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
5NX5
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BU of 5nx5 by Molmil
Crystal structure of Linalool/Nerolidol synthase from Streptomyces clavuligerus in complex with 2-fluorogeranyl diphosphate
Descriptor: (2Z)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, CHLORIDE ION, GLYCEROL, ...
Authors:Karuppiah, V, Leys, D, Scrutton, N.S.
Deposit date:2017-05-09
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis of Catalysis in the Bacterial Monoterpene Synthases Linalool Synthase and 1,8-Cineole Synthase.
ACS Catal, 7, 2017
6UCM
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BU of 6ucm by Molmil
Transcription factor DeltaFosB bZIP domain self-assembly, type-II crystal
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Protein fosB
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2019-09-16
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Self-assembly of the bZIP transcription factor Delta FosB.
Curr Res Struct Biol, 2, 2020
6A58
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BU of 6a58 by Molmil
Structure of histone demethylase REF6
Descriptor: Lysine-specific demethylase REF6, ZINC ION
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
5LJM
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BU of 5ljm by Molmil
Structure of SPATA2 PUB domain
Descriptor: GLYCEROL, Spermatogenesis-associated protein 2
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
6WX5
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BU of 6wx5 by Molmil
Adducts formed after 3 weeks in the reaction of chlorido[chlorido(2,2'-((2-([2,2':6',2''-Terpyridin]-4'-yloxy)ethyl)azanediyl)bis(ethan-1-ol))platinum(II)] with HEWL
Descriptor: ACETATE ION, Lysozyme, PLATINUM (II) ION, ...
Authors:Sullivan, M.P, Hartinger, C.G, Goldstone, D.C.
Deposit date:2020-05-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mustards-Derived Terpyridine-Platinum Complexes as Anticancer Agents: DNA Alkylation vs Coordination.
Inorg.Chem., 60, 2021
6A57
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BU of 6a57 by Molmil
Structure of histone demethylase REF6 complexed with DNA
Descriptor: DNA (5'-D(*CP*TP*TP*TP*CP*TP*CP*TP*GP*TP*TP*TP*TP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*AP*AP*AP*AP*CP*AP*GP*AP*GP*AP*AP*A)-3'), GLYCEROL, ...
Authors:Tian, Z, Chen, Z.
Deposit date:2018-06-22
Release date:2019-06-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
8IVW
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BU of 8ivw by Molmil
Crystal structure of NRP2 in complex with aNRP2-10 Fab fragment
Descriptor: Heavy chian of antibody 10V8 Fab fragment, Light chain of antibody 10V8 Fab fragment, Neuropilin-2
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023
8IVX
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BU of 8ivx by Molmil
Crystal structure of NRP2 in complex with aNRP2-14 Fab fragment
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody 14V4 Fab fragment, Light chain of antibody 14V4 Fab fragment, ...
Authors:Geng, Y, Zhai, L.
Deposit date:2023-03-29
Release date:2023-07-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of VEGF binding to neuropilin-2 enhances chemosensitivity and inhibits metastasis in triple-negative breast cancer.
Sci Transl Med, 15, 2023

224201

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