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5W0B
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BU of 5w0b by Molmil
Structure of human TUT7 catalytic module (CM)
Descriptor: IODIDE ION, SULFATE ION, Terminal uridylyltransferase 7, ...
Authors:Faehnle, C.R, Walleshauser, J, Joshua-Tor, L.
Deposit date:2017-05-30
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.614 Å)
Cite:Multi-domain utilization by TUT4 and TUT7 in control of let-7 biogenesis.
Nat. Struct. Mol. Biol., 24, 2017
8VPK
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BU of 8vpk by Molmil
Structure of Mycobacterium smegmatis 50S ribosomal subunit bound to HflX and erythromycin:50S-HflX-B-Ery
Descriptor: 23S ribosomal RNA, 50S Ribosomal Protein L13, 50S Ribosomal Protein L18, ...
Authors:Majumdar, S, Koripella, R.K, Sharma, M.R, Manjari, S.R, Banavali, N.K, Agrawal, R.K.
Deposit date:2024-01-16
Release date:2025-04-30
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:HflX-mediated drug resistance through ribosome splitting and rRNA disordering in mycobacteria.
Proc.Natl.Acad.Sci.USA, 122, 2025
7Z64
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BU of 7z64 by Molmil
A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, ...
Authors:Madhuprakash, J, Dalhus, B, Rohr, A.K, Bissaro, B, Vaaje-Kolstad, G, Sorlie, M, Eijsink, V.G.
Deposit date:2022-03-10
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:A GH18 from haloalkaliphilic bacterium unveils environment-dependent variations in the catalytic machinery of chitinases
To Be Published
8VUF
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BU of 8vuf by Molmil
Crystal structure of GH9 (K101P, K103N, V108I) HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 5i3
Descriptor: (2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Rumrill, S, Ruiz, F.X, Arnold, E.
Deposit date:2024-01-29
Release date:2025-05-28
Last modified:2025-06-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Development of enhanced HIV-1 non-nucleoside reverse transcriptase inhibitors with improved resistance and pharmacokinetic profiles.
Sci Adv, 11, 2025
6VRM
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BU of 6vrm by Molmil
T cell receptor-p53-HLA-A2 complex
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, MHC class I antigen, ...
Authors:Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A.
Deposit date:2020-02-08
Release date:2020-06-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen.
Nat Commun, 11, 2020
5ILR
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BU of 5ilr by Molmil
H64Q sperm whale myoglobin with a Fe-chlorophenyl moiety
Descriptor: (4-chlorophenyl)[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)di(propanoato)(2-)]iron, GLYCEROL, Myoglobin, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2016-03-04
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Organometallic myoglobins: Formation of Fe-carbon bonds and distal pocket effects on aryl ligand conformations.
J. Inorg. Biochem., 164, 2016
7MJN
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BU of 7mjn by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
8VYP
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BU of 8vyp by Molmil
Cryo-EM Structure of the BRAF V600E monomer
Descriptor: 14-3-3 protein zeta/delta, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase B-raf
Authors:Lavoie, H, Lajoie, D, Jin, T, Decossas, M, Maisonneuve, P, Therrien, M.
Deposit date:2024-02-09
Release date:2025-05-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:BRAF oncogenic mutants evade autoinhibition through a common mechanism.
Science, 388, 2025
6VS8
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BU of 6vs8 by Molmil
Mycobacterium tuberculosis dihydrofolate reductase in complex with ethyl 2-methyl thiazole-4-carboxylate(fragment 3)
Descriptor: COBALT (II) ION, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Ribeiro, J.A, Dias, M.V.B.
Deposit date:2020-02-10
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
8VYO
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BU of 8vyo by Molmil
Cryo-EM Structure of the BRAF WT monomer
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf, ZINC ION
Authors:Lavoie, H, Lajoie, D, Jin, T, Decossas, M, Maisonneuve, P, Therrien, M.
Deposit date:2024-02-09
Release date:2025-05-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.74 Å)
Cite:BRAF oncogenic mutants evade autoinhibition through a common mechanism.
Science, 388, 2025
6VSW
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BU of 6vsw by Molmil
Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt
Descriptor: 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C
Authors:Spurlino, J, Milligan, C.
Deposit date:2020-02-12
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
5W0Q
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BU of 5w0q by Molmil
CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide)
Descriptor: (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide, CREB-binding protein, SULFATE ION
Authors:Murray, J.M.
Deposit date:2017-05-31
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5ILQ
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BU of 5ilq by Molmil
Crystal structure of truncated unliganded Aspartate Transcarbamoylase from Plasmodium falciparum
Descriptor: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION
Authors:Lunev, S, Bosch, S.S, Batista, F.D.A, Wrenger, C, Groves, M.R.
Deposit date:2016-03-04
Release date:2016-06-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum.
Acta Crystallogr.,Sect.F, 72, 2016
8VYU
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BU of 8vyu by Molmil
Cryo-EM Structure of the BRAF WT monomer bound to PLX8394
Descriptor: (3S)-N-{3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}-3-fluoropyrrolidine-1-sulfonamide, 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Lavoie, H, Lajoie, D, Jin, T, Decossas, M, Maisonneuve, P, Therrien, M.
Deposit date:2024-02-09
Release date:2025-05-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:BRAF oncogenic mutants evade autoinhibition through a common mechanism.
Science, 388, 2025
7MMZ
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BU of 7mmz by Molmil
Crystal Structure of Acetyl-coenzyme A synthetase from Legionella pneumophila Philadelphia 1 in complex with ethyl-AMP
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine, Acetyl-coenzyme A synthetase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-04-30
Release date:2021-05-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bacterial structural genomics target enabled by a recently discovered potent fungal acetyl-CoA synthetase inhibitor.
Acta Crystallogr.,Sect.F, 2023
8VYW
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BU of 8vyw by Molmil
Cryo-EM Structure of the BRAF D594G monomer
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Lavoie, H, Lajoie, D, Jin, T, Decossas, M, Maisonneuve, P, Therrien, M.
Deposit date:2024-02-09
Release date:2025-05-28
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (4.76 Å)
Cite:BRAF oncogenic mutants evade autoinhibition through a common mechanism.
Science, 388, 2025
6WBR
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BU of 6wbr by Molmil
Crystal structure of AceCas9 bound with guide RNA and DNA with 5'-NNNCC-3' PAM
Descriptor: CRISPR-associated endonuclease, Csn1 family,CRISPR-associated endonuclease, Csn1 family, ...
Authors:Li, H, Das, A.
Deposit date:2020-03-27
Release date:2020-11-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The molecular basis for recognition of 5'-NNNCC-3' PAM and its methylation state by Acidothermus cellulolyticus Cas9.
Nat Commun, 11, 2020
5VPS
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BU of 5vps by Molmil
Crystal structure of an SDR from Burkholderia ambifaria in complex with NADPH with a TCEP adduct
Descriptor: 1,2-ETHANEDIOL, Short-chain dehydrogenase/reductase SDR, [(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-05
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Cautionary Tale of Using Tris(alkyl)phosphine Reducing Agents with NAD+-Dependent Enzymes.
Biochemistry, 2020
6VUH
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BU of 6vuh by Molmil
APO PreQ1 riboswitch aptamer grown in Mn2+
Descriptor: MANGANESE (II) ION, PREQ1 RIBOSWITCH
Authors:Jenkins, J.L, Wedekind, J.E.
Deposit date:2020-02-15
Release date:2020-06-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Analysis of a preQ1-I riboswitch in effector-free and bound states reveals a metabolite-programmed nucleobase-stacking spine that controls gene regulation.
Nucleic Acids Res., 48, 2020
7MHM
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BU of 7mhm by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
Authors:Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
Deposit date:2021-04-15
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5302 Å)
Cite:The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
6VUU
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BU of 6vuu by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1347
Descriptor: (7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2020-02-16
Release date:2020-06-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VIJ
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BU of 6vij by Molmil
Crystal structure of mouse RABL3 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VIU
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BU of 6viu by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2020-01-14
Release date:2020-11-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
5IN5
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BU of 5in5 by Molmil
Crystal Structure of GDP-mannose 4,6 dehydratase in complex with natural inhibitor GDP-Fucose
Descriptor: GDP-mannose 4,6 dehydratase, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Sickmier, E.A.
Deposit date:2016-03-07
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Facile Modulation of Antibody Fucosylation with Small Molecule Fucostatin Inhibitors and Cocrystal Structure with GDP-Mannose 4,6-Dehydratase.
Acs Chem.Biol., 11, 2016
5VDB
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BU of 5vdb by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
Descriptor: (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794
Authors:Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2017-04-01
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases.
FEBS Lett., 591, 2017

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数据于2025-10-22公开中

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