3JSU
 
 | | Quadruple mutant(N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase(PFDHFR-TS) complexed with QN254, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine, Dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Chitnumsub, P, Maneeruttanarungroj, C, Kamchonwongpaisan, S, Yuthavong, Y, Diagana, T.T. | | Deposit date: | 2009-09-11 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate
Antimicrob.Agents Chemother., 54, 2010
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5GLF
 | | Structural insights into the interaction of p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease | | Descriptor: | Derlin-1, Transitional endoplasmic reticulum ATPase | | Authors: | Lim, J.J, Lee, Y, Yoon, S.Y, Ly, T.T, Kang, J.Y, Youn, H.-S, An, J.Y, Lee, J.-G, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H. | | Deposit date: | 2016-07-11 | | Release date: | 2016-11-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural insights into the interaction of human p97 N-terminal domain and SHP motif in Derlin-1 rhomboid pseudoprotease.
FEBS Lett., 590, 2016
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8H6Q
 | | Class I sesquiterpene synthase BCBOT2 (apo) | | Descriptor: | Presilphiperfolan-8-beta-ol synthase | | Authors: | Lou, T.T, Ma, M. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H6U
 | | Class I sesquiterpene synthase BCBOT2 (complex) | | Descriptor: | MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE 2-, ... | | Authors: | Lou, T.T, Ma, M. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H4P
 | | class I sesquiterpene synthase | | Descriptor: | Longiborneol synthase CLM1, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | | Authors: | Li, A.N, Lou, T.T, Ma, M. | | Deposit date: | 2022-10-11 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8H72
 | | Class I sesquiterpene synthase DbPROS (complex) | | Descriptor: | Delta(6)-protoilludene synthase K435DRAFT_659367, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium | | Authors: | Lou, T.T, Ma, M. | | Deposit date: | 2022-10-18 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
J.Am.Chem.Soc., 2023
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8HCY
 | | Legionella glycosyltransferase | | Descriptor: | Dot/Icm secretion system substrate | | Authors: | Chen, T.T, Ouyang, S.Y. | | Deposit date: | 2022-11-03 | | Release date: | 2023-11-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structural Basis for the Action Mechanism of Legionella Glycosyltransferase.
Small Struct, 2023
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5GMQ
 | | Structure of MERS-CoV RBD in complex with a fully human antibody MCA1 | | Descriptor: | 1,2-ETHANEDIOL, MCA1 heavy chain, MCA1 light chain, ... | | Authors: | Chen, C, Wang, J.M, Zou, T.T, Gao, X.P, Cui, S, Jin, Q. | | Deposit date: | 2016-07-15 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Human Neutralizing Monoclonal Antibody Inhibition of Middle East Respiratory Syndrome Coronavirus Replication in the Common Marmoset.
J. Infect. Dis., 215, 2017
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3HK9
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Glucuronate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-glucuronic acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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3HK7
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate, monoclinic crystal form | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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5EPP
 | | Structural Insights into the Interaction of p97 N-terminus Domain and VBM Motif in Rhomboid Protease, RHBDL4 | | Descriptor: | Rhomboid-related protein 4, Transitional endoplasmic reticulum ATPase | | Authors: | Lim, J.J, Lee, Y, Ly, T.T, Kang, J.Y, Lee, J.-G, An, J.Y, Youn, H.-S, Park, K.R, Kim, T.G, Yang, J.K, Jun, Y, Eom, S.H. | | Deposit date: | 2015-11-12 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural insights into the interaction of p97 N-terminus domain and VBM in rhomboid protease, RHBDL4.
Biochem.J., 473, 2016
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3KRG
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4AYJ
 | | Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen | | Descriptor: | BOGT - METAL-INDEPENDENT GLYCOSYLTRANSFERASE, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Thiyagarajan, N, Pham, T.T.K, Stinson, B, Sundriyal, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R. | | Deposit date: | 2012-06-21 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
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8I29
 | | Crystal structure of butanol dehydrogenase A (YqdH) in complex with NADH from Fusobacterium nucleatum | | Descriptor: | CHLORIDE ION, COBALT (II) ION, NADH-dependent butanol dehydrogenase A, ... | | Authors: | Bai, X, Lan, J, Bu, T.T, Wang, L.L, He, S.R, Zhang, J, Xu, Y.B. | | Deposit date: | 2023-01-14 | | Release date: | 2023-02-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Crystal structure of butanol dehydrogenase A (YqdH) in complex with NADH from Fusobacterium nucleatum
To Be Published
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7EAM
 | | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ... | | Authors: | Li, T.T, Gu, Y, Li, S.W. | | Deposit date: | 2021-03-07 | | Release date: | 2021-03-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
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7EAN
 | | immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ... | | Authors: | Li, T.T, Gu, Y, Li, S.W. | | Deposit date: | 2021-03-07 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
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4BBO
 | | Crystal structure of core-bradavidin | | Descriptor: | ACETATE ION, BIOTIN, BLR5658 PROTEIN, ... | | Authors: | Airenne, T.T, Johnson, M.S, Maatta, J.A.E, Hytonen, V.H, Kulomaa, M.S. | | Deposit date: | 2012-09-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Core-Bradavidin
To be Published
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3KLQ
 | | Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S | | Descriptor: | GLYCEROL, Putative pilus anchoring protein | | Authors: | Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N. | | Deposit date: | 2009-11-08 | | Release date: | 2010-04-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
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4AYL
 | | Molecular structure of a metal-independent bacterial glycosyltransferase that catalyzes the synthesis of histo-blood group A antigen | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BOGT-METAL-INDEPENDENT GLYCOSYLTRANSFERASE, CALCIUM ION, ... | | Authors: | Thiyagarajan, N, Pham, T.T.K, Stinsonb, B, Sundriyala, A, Tumbale, P, Lizotte-Waniewskib, M, Brewb, K, Acharya, K.R. | | Deposit date: | 2012-06-21 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Structure of a Metal-Independent Bacterial Glycosyltransferase that Catalyzes the Synthesis of Histo-Blood Group a Antigen
Sci.Rep., 2, 2012
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7FCT
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4BCS
 | | Crystal structure of an avidin mutant | | Descriptor: | ACETATE ION, BIOTIN, CHIMERIC AVIDIN, ... | | Authors: | Airenne, T.T, Niederhauser, B, Hytonen, V.P, Kulomaa, M.S, Johnson, M.S. | | Deposit date: | 2012-10-03 | | Release date: | 2013-10-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Novel Chimeric Avidin with Increased Thermal Stability Using DNA Shuffling.
Plos One, 9, 2014
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5HQ5
 | | Crystal structure of fragment bound with Brd4 | | Descriptor: | 7-methyl-N-(o-tolyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Xu, Y.C. | | Deposit date: | 2016-01-21 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of fragment bound with Brd4
to be published
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5HXK
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4BJ8
 | | Zebavidin | | Descriptor: | BIOTIN, GLYCEROL, ZEBAVIDIN | | Authors: | Airenne, T.T, Parthiban, M, Niederhauser, B, Zmurko, J, Kulomaa, M.S, Hytonen, V.P, Johnson, M.S. | | Deposit date: | 2013-04-17 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Zebavidin
Plos One, 8, 2013
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5HQ6
 | | Crystal structure of fragment bound with Brd4 | | Descriptor: | (2R)-2,6-dimethyl-2H-1,4-benzoxazin-3(4H)-one, Bromodomain-containing protein 4 | | Authors: | Chen, T.T, Xu, Y.C. | | Deposit date: | 2016-01-21 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of fragment bound with Brd4
to be published
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