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7DEG
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BU of 7deg by Molmil
Cryo-EM structure of a heme-copper terminal oxidase dimer provides insights into its catalytic mechanism
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-[(2~{E},6~{E},10~{Z},14~{Z},18~{Z},23~{R})-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18-pentaenyl]naphthalene-1,4-dione, ...
Authors:Fei, S, Hartmut, M, Yun, Z, Guoliang, Z, Shuangbo, Z.
Deposit date:2020-11-04
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The Unusual Homodimer of a Heme-Copper Terminal Oxidase Allows Itself to Utilize Two Electron Donors.
Angew.Chem.Int.Ed.Engl., 60, 2021
5YB4
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BU of 5yb4 by Molmil
Crystal structure of HP23LN36KR
Descriptor: HP23L, N36KR
Authors:Zhang, X, Wang, X, He, Y.
Deposit date:2017-09-03
Release date:2018-02-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Mechanisms of Action of Short-Peptide HIV-1 Fusion Inhibitors Targeting the Gp41 Pocket
Front Cell Infect Microbiol, 8, 2018
8K0S
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BU of 8k0s by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 with 10-nt TRS at symmetric apo state
Descriptor: MAGNESIUM ION, RNA (543-MER)
Authors:Zhu, H.Z, Liu, J.J.G.
Deposit date:2023-07-10
Release date:2024-05-01
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
8K15
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BU of 8k15 by Molmil
The Streptococcus azizii ORF-less Group IIC intron HYER2 at apo state
Descriptor: MAGNESIUM ION, RNA (470-MER)
Authors:Zhu, H.Z, Liu, J.J.G.
Deposit date:2023-07-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
7XUN
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BU of 7xun by Molmil
Structure of ATP7B C983S/C985S/D1027A mutant
Descriptor: Copper-transporting ATPase 2
Authors:Yang, G, Xu, L, Guo, J, Wu, Z.
Deposit date:2022-05-19
Release date:2023-04-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of the human Wilson disease copper transporter ATP7B.
Cell Rep, 42, 2023
8K0R
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BU of 8k0r by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 at symmetric post cleavge state
Descriptor: DNA, MAGNESIUM ION, RNA (542-MER)
Authors:Zhu, H.Z, Liu, J.J.G.
Deposit date:2023-07-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
8K0Q
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BU of 8k0q by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 at symmetric pre-cleavage state
Descriptor: DNA, MAGNESIUM ION, RNA (542-MER)
Authors:Zhu, H.Z, Liu, J.J.G.
Deposit date:2023-07-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
8K0P
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BU of 8k0p by Molmil
The Anoxybacillus pushchinoensis ORF-less Group IIC Intron HYER1 at symmetric apo state
Descriptor: MAGNESIUM ION, RNA (542-MER)
Authors:Zhu, H.Z, Liu, J.J.G.
Deposit date:2023-07-10
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Hydrolytic endonucleolytic ribozyme (HYER) is programmable for sequence-specific DNA cleavage.
Science, 383, 2024
4ZX3
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BU of 4zx3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b
Descriptor: DIMETHYL SULFOXIDE, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6FRK
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BU of 6frk by Molmil
Structure of a prehandover mammalian ribosomal SRP and SRP receptor targeting complex
Descriptor: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
Authors:Kobayashi, K, Jomaa, A, Ban, N.
Deposit date:2018-02-16
Release date:2018-03-28
Last modified:2018-05-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of a prehandover mammalian ribosomal SRP·SRP receptor targeting complex.
Science, 360, 2018
4ZY1
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BU of 4zy1 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10r
Descriptor: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-oxoethyl}-2,2-dimethylpropanamide, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-21
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6N3I
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BU of 6n3i by Molmil
Crystal structure of a double Trp XylE mutants (G58W/L315W)
Descriptor: D-xylose transporter
Authors:Jiang, X, Wu, J.P, Yan, N.
Deposit date:2018-11-15
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:Engineered XylE as a tool for mechanistic investigation and ligand discovery of the glucose transporters GLUTs.
Cell Discov, 5, 2019
8UDZ
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BU of 8udz by Molmil
The Structure of LTBP-49247 Fab Bound to TGFbeta1 Small Latent Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LTBP-49247 Fab Heavy Chain, LTBP-49247 Fab Light Chain, ...
Authors:Streich Jr, F.C, Nicholls, S.B, Boston, C.J, Ramachandran, S.
Deposit date:2023-09-29
Release date:2024-07-17
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:An antibody that inhibits TGF-beta 1 release from latent extracellular matrix complexes attenuates the progression of renal fibrosis.
Sci.Signal., 17, 2024
7N44
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BU of 7n44 by Molmil
Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)
Descriptor: 3C-like proteinase, 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
Authors:Reilly, R.A, Zhang, C.H, Deshmukh, M.G, Ippolito, J.A, Hollander, K, Jorgensen, W.L, Anderson, K.S.
Deposit date:2021-06-03
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Optimization of Triarylpyridinone Inhibitors of the Main Protease of SARS-CoV-2 to Low-Nanomolar Antiviral Potency.
Acs Med.Chem.Lett., 12, 2021
1TK9
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BU of 1tk9 by Molmil
Crystal Structure of Phosphoheptose isomerase 1
Descriptor: Phosphoheptose isomerase 1
Authors:Rajashankar, K.R, Solorzano, V, Kniewel, R, Lima, C.D, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2004-06-08
Release date:2004-06-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of two putative phosphoheptose isomerases.
Proteins, 63, 2006
4ZAR
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BU of 4zar by Molmil
Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
Descriptor: CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE, bound form, ...
Authors:Sawaya, M.R, Cascio, D, Collazo, M, Bond, C, Cohen, A, DeNicola, A, Eden, K, Jain, K, Leung, C, Lubock, N, McCormick, J, Rosinski, J, Spiegelman, L, Athar, Y, Tibrewal, N, Winter, J, Solomon, S.
Deposit date:2015-04-14
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structure of Proteinase K from Engyodontium album inhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution
to be published
7SJS
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BU of 7sjs by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8
Descriptor: ACETATE ION, CC40.8 Fab heavy chain, CC40.8 Fab light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-10-18
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:A human antibody reveals a conserved site on beta-coronavirus spike proteins and confers protection against SARS-CoV-2 infection.
Sci Transl Med, 14, 2022
7RXS
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BU of 7rxs by Molmil
Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
Descriptor: 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXT
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BU of 7rxt by Molmil
Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine
Descriptor: 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7RXR
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BU of 7rxr by Molmil
Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
Descriptor: 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-23
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.
J.Med.Chem., 65, 2022
7SBN
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BU of 7sbn by Molmil
Human glutaminase C (Y466W) with L-Gln, closed conformation
Descriptor: GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial
Authors:Nguyen, T.-T.T, Cerione, R.A.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding.
J.Biol.Chem., 298, 2022
7SBM
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BU of 7sbm by Molmil
Human glutaminase C (Y466W) with L-Gln, open conformation
Descriptor: GLUTAMINE, Isoform 3 of Glutaminase kidney isoform, mitochondrial
Authors:Nguyen, T.-T.T, Cerione, R.A.
Deposit date:2021-09-25
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:High-resolution structures of mitochondrial glutaminase C tetramers indicate conformational changes upon phosphate binding.
J.Biol.Chem., 298, 2022
1G9I
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BU of 1g9i by Molmil
CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE
Descriptor: BOWMAN-BIRK TYPE TRYPSIN INHIBITOR, CALCIUM ION, SULFATE ION, ...
Authors:Zhu, G, Huang, Q, Zhu, Y, Li, Y, Chi, C, Tang, Y.
Deposit date:2000-11-24
Release date:2000-12-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-Ray study on an artificial mung bean inhibitor complex with bovine beta-trypsin in neat cyclohexane.
Biochim.Biophys.Acta, 1546, 2001
7LGD
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BU of 7lgd by Molmil
HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113
Descriptor: Beta-2-microglobulin, CHLORIDE ION, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Szeto, C, Chatzileontiadou, D.S.M.
Deposit date:2021-01-20
Release date:2021-04-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses.
Immunity, 54, 2021
5V5V
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BU of 5v5v by Molmil
Complex of NLGN2 with MDGA1 Ig1-Ig2
Descriptor: MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2
Authors:Gangwar, S.P, Machius, M, Rudenko, G.
Deposit date:2017-03-15
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.11 Å)
Cite:Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges.
Neuron, 94, 2017

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