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6U9U
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BU of 6u9u by Molmil
Structure of GM9_TH8seq732127 FAB
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2019-09-09
Release date:2019-11-06
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
8U0M
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BU of 8u0m by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-2-methylbut-2-en-1-yl monophosphate and ATP
Descriptor: (2E)-2-methylbut-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
8U0N
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BU of 8u0n by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to 2-cyclopentylideneethyl monophosphate and ADP
Descriptor: 2-cyclopentylideneethyl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
8U0K
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BU of 8u0k by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to DMAP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Dimethylallyl monophosphate, Isopentenyl phosphate kinase
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
8U0L
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BU of 8u0l by Molmil
Crystal structure of isopentenyl phosphate kinase from Thermococcus paralvinellae bound to (E)-But-2-en-1-yl monophosphate and ADP
Descriptor: (2E)-but-2-en-1-yl dihydrogen phosphate, ADENOSINE-5'-DIPHOSPHATE, Isopentenyl phosphate kinase
Authors:Singh, S, Thomas, L.M, Johnson, B.P, Brown, S.
Deposit date:2023-08-29
Release date:2024-02-21
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ternary complexes of isopentenyl phosphate kinase from Thermococcus paralvinellae reveal molecular determinants of non-natural substrate specificity.
Proteins, 92, 2024
6VJN
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BU of 6vjn by Molmil
Structure of NHP D11A.B5Fab in complex with 16055 V2b peptide
Descriptor: D11A.B5 Fab Heavy chain, D11A.B5 Fab Light chain, SODIUM ION, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2020-01-16
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6WAS
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BU of 6was by Molmil
Structure of D19.PA8 Fab in complex with 1FD6 16055 V1V2 scaffold
Descriptor: 1FD6 16055 V1V2 scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, GN1_PA8 Fab Heavy chain, ...
Authors:Singh, S, Liban, T.J, Pancera, M.
Deposit date:2020-03-26
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6NM0
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BU of 6nm0 by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Singh, S, McKenna, R.
Deposit date:2019-01-10
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
6NLV
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BU of 6nlv by Molmil
Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines
Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Singh, S, McKenna, R.
Deposit date:2019-01-09
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer.
J.Med.Chem., 64, 2021
7MQ8
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BU of 7mq8 by Molmil
Cryo-EM structure of the human SSU processome, state pre-A1
Descriptor: 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Vanden Broeck, A, Singh, S, Klinge, S.
Deposit date:2021-05-05
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
7MQ9
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BU of 7mq9 by Molmil
Cryo-EM structure of the human SSU processome, state pre-A1*
Descriptor: 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Vanden Broeck, A, Singh, S, Klinge, S.
Deposit date:2021-05-05
Release date:2021-09-22
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
7MQA
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BU of 7mqa by Molmil
Cryo-EM structure of the human SSU processome, state post-A1
Descriptor: 18S rRNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Vanden Broeck, A, Singh, S, Klinge, S.
Deposit date:2021-05-05
Release date:2021-09-22
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Nucleolar maturation of the human small subunit processome.
Science, 373, 2021
6EDA
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BU of 6eda by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
Descriptor: 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
Deposit date:2018-08-09
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.879 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6EEH
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BU of 6eeh by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
Descriptor: Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION
Authors:Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
Deposit date:2018-08-14
Release date:2018-11-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.629 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6EEO
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BU of 6eeo by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
Descriptor: 3-{[(4-fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
Deposit date:2018-08-15
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.719 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6ECZ
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BU of 6ecz by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
Descriptor: Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION
Authors:Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
Deposit date:2018-08-08
Release date:2018-11-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
6K2C
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BU of 6k2c by Molmil
Extended Hect domain of UBE3C E3 Ligase
Descriptor: Ubiquitin-protein ligase E3C
Authors:Sivaraman, J, Singh, S.
Deposit date:2019-05-14
Release date:2020-03-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Crystal structure of HECT domain of UBE3C E3 ligase and its ubiquitination activity.
Biochem.J., 477, 2020
6JX6
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BU of 6jx6 by Molmil
Tetrameric form of Smac
Descriptor: Diablo homolog, mitochondrial
Authors:Sivaraman, J, Singh, S, Ng, J, Nayak, D.
Deposit date:2019-04-22
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
6JX5
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BU of 6jx5 by Molmil
Hect domain of AREL1
Descriptor: Apoptosis-resistant E3 ubiquitin protein ligase 1
Authors:Sivaraman, J, Singh, S, Ng, J, Nayak, D.
Deposit date:2019-04-22
Release date:2019-12-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural insights into a HECT-type E3 ligase AREL1 and its ubiquitination activitiesin vitro.
J.Biol.Chem., 294, 2019
7S16
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BU of 7s16 by Molmil
Crystal structure of alpha-COP-WD40 domain R57A mutant
Descriptor: Coatomer subunit alpha, SODIUM ION
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-01
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
7S22
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BU of 7s22 by Molmil
Crystal structure of alpha-COP-WD40 domain
Descriptor: Coatomer subunit alpha
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-02
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
7S23
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BU of 7s23 by Molmil
Crystal structure of alpha-COP-WD40 domain, Y139A mutant
Descriptor: Coatomer subunit alpha
Authors:Dey, D, Singh, S, Khan, S, Martin, M, Schnicker, N, Gakhar, L, Pierce, B, Hasan, S.S.
Deposit date:2021-09-03
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:An extended motif in the SARS-CoV-2 spike modulates binding and release of host coatomer in retrograde trafficking
Commun Biol, 5, 2022
3BUJ
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BU of 3buj by Molmil
Crystal Structure of CalO2
Descriptor: CalO2, PROTOPORPHYRIN IX CONTAINING FE
Authors:McCoy, J.G, Johnson, H.D, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N.
Deposit date:2008-01-02
Release date:2008-04-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural characterization of CalO2: a putative orsellinic acid P450 oxidase in the calicheamicin biosynthetic pathway.
Proteins, 74, 2009
3C64
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BU of 3c64 by Molmil
The MC179 portion of the Cysteine-rich Interdomain Region (CIDR) of a Plasmodium falciparum Erythrocyte Membrane Protein-1 (PfEMP1)
Descriptor: CHLORIDE ION, PfEMP1 variant 2 of strain MC, TETRAETHYLENE GLYCOL
Authors:Klein, M.M, Gittis, A.G, Su, H.P, Makobongo, M.O, Moore, J.M, Singh, S, Miller, L.H, Garboczi, D.N.
Deposit date:2008-02-02
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Cysteine-Rich Interdomain Region from the Highly Variable Plasmodium falciparum Erythrocyte Membrane Protein-1 Exhibits a Conserved Structure.
Plos Pathog., 4, 2008
4XQ2
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BU of 4xq2 by Molmil
Ensemble refinement of cystathione gamma lyase (CalE6) D7G from Micromonospora echinospora
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, CalE6, ...
Authors:Wang, F, Yennamalli, R.M, Singh, S, Tan, K, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-01-18
Release date:2015-04-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora
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PDB entries from 2024-06-12

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