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1MTI
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BU of 1mti by Molmil
PHE46(CD4) ORIENTS THE DISTAL HISTIDINE FOR HYDROGEN BONDING TO BOUND LIGANDS IN SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Li, T, Phillips Jr, G.N.
Deposit date:1994-12-12
Release date:1995-09-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phe-46(CD4) orients the distal histidine for hydrogen bonding to bound ligands in sperm whale myoglobin.
Proteins, 22, 1995
8IMY
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BU of 8imy by Molmil
Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, T, Xu, Y, Qu, Q, Li, D.
Deposit date:2023-03-07
Release date:2023-08-16
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
8K9R
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BU of 8k9r by Molmil
Cryo EM structure of the products-bound PGAP1(Bst1)-H443N from Chaetomium thermophilum
Descriptor: 2-amino-2-deoxy-alpha-D-glucopyranose, 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate, 2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate, ...
Authors:Li, T, Hong, J, Qu, Q, Li, D.
Deposit date:2023-08-01
Release date:2023-12-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Molecular basis of the inositol deacylase PGAP1 involved in quality control of GPI-AP biogenesis.
Nat Commun, 15, 2024
8K9T
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BU of 8k9t by Molmil
Cryo-EM structure of the products-bound PGAP1(Bst1)-S327A from Chaetonium thermophilum
Descriptor: 2-amino-2-deoxy-alpha-D-glucopyranose, 2-azanylethyl [(2R,3S,4S,5S,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hydrogen phosphate, 2-azanylethyl [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate, ...
Authors:Li, T, Hong, J, Qu, Q, Li, D.
Deposit date:2023-08-01
Release date:2023-12-20
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Molecular basis of the inositol deacylase PGAP1 involved in quality control of GPI-AP biogenesis.
Nat Commun, 15, 2024
7CYV
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BU of 7cyv by Molmil
Crystal structure of FD20, a neutralizing single-chain variable fragment (scFv) in complex with SARS-CoV-2 Spike receptor-binding domain (RBD)
Descriptor: Spike protein S1, The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Li, Y, Li, T, Lai, Y, Cai, H, Yao, H, Li, D.
Deposit date:2020-09-04
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Uncovering a conserved vulnerability site in SARS-CoV-2 by a human antibody.
Embo Mol Med, 13, 2021
6KBD
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BU of 6kbd by Molmil
fused To-MtbCsm1 with 2dATP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-24
Release date:2020-06-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
6KC0
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BU of 6kc0 by Molmil
fused To-MtbCsm1 with 2ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A),CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A), MAGNESIUM ION
Authors:Li, T, Huo, Y, Jiang, T.
Deposit date:2019-06-26
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Int.J.Biol.Macromol., 170, 2020
7V8S
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BU of 7v8s by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P1211
Descriptor: Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7V8R
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BU of 7v8r by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of C2221
Descriptor: 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7V8O
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BU of 7v8o by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P21221
Descriptor: 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7YHK
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BU of 7yhk by Molmil
Cryo-EM structure of the HA trimer of A/Beijing/262/1995(H1N1) in complex with neutralizing antibody 12H5
Descriptor: 12H5 heavy chain, 12H5 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zheng, Q, Li, S, Li, T, Xue, W, Sun, H.
Deposit date:2022-07-13
Release date:2022-08-17
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
Descriptor: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
Authors:Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
7D2Z
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BU of 7d2z by Molmil
Structure of sybody SR31 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: ACETATE ION, FORMIC ACID, GLYCEROL, ...
Authors:Li, T, Cai, H, Yao, H, Qin, W, Li, D.
Deposit date:2020-09-17
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
7D30
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BU of 7d30 by Molmil
Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
Descriptor: 1,3-BUTANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Li, T, Yao, H, Cai, H, Qin, W, Li, D.
Deposit date:2020-09-17
Release date:2021-02-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
2FS4
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BU of 2fs4 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring
Descriptor: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
Authors:Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S.
Deposit date:2006-01-20
Release date:2006-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
2UZT
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BU of 2uzt by Molmil
PKA structures of AKT, indazole-pyridine inhibitors
Descriptor: (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZU
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BU of 2uzu by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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BU of 2uzv by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZW
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BU of 2uzw by Molmil
PKA structures of indazole-pyridine series of AKT inhibitors
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ...
Authors:Zhu, G.D, Gandhi, V.B, Gong, J, Thomas, S, Woods, K.W, Song, X, Li, T, Diebold, R.B, Luo, Y, Liu, X, Guan, R, Klinghofer, V, Johnson, E.F, Bouska, J, Olson, A, Marsh, K.C, Stoll, V.S, Mamo, M, Polakowski, J, Campbell, T.J, Penning, T.D, Li, Q, Rosenberg, S.H, Giranda, V.L.
Deposit date:2007-05-01
Release date:2007-06-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
6XI8
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BU of 6xi8 by Molmil
Yeast TFIIK (Kin28/Ccl1/Tfb3) Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Cyclin CCL1, ...
Authors:van Eeuwen, T, Murakami, K, Li, T, Tsai, K.L.
Deposit date:2020-06-19
Release date:2021-04-28
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structure of TFIIK for phosphorylation of CTD of RNA polymerase II.
Sci Adv, 7, 2021
8HNI
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BU of 8hni by Molmil
hnRNP A2/B1 RRMs in complex with telomeric DNA
Descriptor: DNA (5'-D(P*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*T)-3'), Heterogeneous nuclear ribonucleoproteins A2/B1
Authors:Liu, Y, Abula, A, Xiao, H, Guo, H, Li, T, Zheng, L, Chen, B, Nguyen, H, Ji, X.
Deposit date:2022-12-07
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Structural Insight Into hnRNP A2/B1 Homodimerization and DNA Recognition.
J.Mol.Biol., 435, 2023
7BOR
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BU of 7bor by Molmil
Structure of Pseudomonas aeruginosa CoA-bound OdaA
Descriptor: COENZYME A, Probable enoyl-CoA hydratase/isomerase
Authors:Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R.
Deposit date:2020-03-19
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
1NI1
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BU of 1ni1 by Molmil
Imidazole and cyanophenyl farnesyl transferase inhibitors
Descriptor: 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
Authors:Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L.
Deposit date:2002-12-20
Release date:2004-04-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003

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