8GJT
 
 | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-116-D1 | Descriptor: | (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | Deposit date: | 2023-03-16 | Release date: | 2023-06-07 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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2Q0R
 
 | Structure of Pectenotoxin-2 Bound to Actin | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ... | Authors: | Allingham, J.S, Miles, C.O, Rayment, I. | Deposit date: | 2007-05-22 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A structural basis for regulation of actin polymerization by pectenotoxins. J.Mol.Biol., 371, 2007
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7KSW
 
 | DNA Polymerase Mu, dGTP:Ct Reaction State Ternary Complex, 10 mM Mg2+ (10min) | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2020-11-24 | Release date: | 2021-12-01 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide. Nat Commun, 12, 2021
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8GD0
 
 | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with TFH-I-070-A6 | Descriptor: | (3S)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | Deposit date: | 2023-03-03 | Release date: | 2023-06-07 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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8GD1
 
 | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-092 | Descriptor: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | Deposit date: | 2023-03-03 | Release date: | 2023-06-07 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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7KUZ
 
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6PSG
 
 | Crystal Structure of Class D Beta-lactamase OXA-48 with Faropenem | Descriptor: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid, CHLORIDE ION, Class D Carbapenemase OXA-48, ... | Authors: | Akhtar, A, Chen, Y. | Deposit date: | 2019-07-12 | Release date: | 2020-01-22 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural Basis for Substrate Specificity and Carbapenemase Activity of OXA-48 Class D beta-Lactamase. Acs Infect Dis., 6, 2020
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2Q29
 
 | Crystal structure of oxalyl-coA decarboxylase from Escherichia coli in complex with acetyl coenzyme A | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYL COENZYME *A, MAGNESIUM ION, ... | Authors: | Werther, T, Zimmer, A, Wille, G, Hubner, G, Weiss, M.S, Konig, S. | Deposit date: | 2007-05-26 | Release date: | 2008-06-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | New insights into structure-function relationships of oxalyl CoA decarboxylase from Escherichia coli. Febs J., 277, 2010
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7L6J
 
 | Crystal Structure of the Putative Hydrolase from Stenotrophomonas maltophilia | Descriptor: | CHLORIDE ION, FORMIC ACID, Putative hydrolase, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-01 | Last modified: | 2025-07-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Functional and structural characterization of Stenotrophomonas maltophilia EntB, an unusual form of isochorismatase for siderophore synthesis. Acta Crystallogr.,Sect.F, 81, 2025
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7L6Y
 
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6PQ6
 
 | The crystal structure of 3-methoxybenzoate-bound CYP199A4 | Descriptor: | 3-methoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bell, S.G, Bruning, J.B. | Deposit date: | 2019-07-08 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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2Q1F
 
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7L6L
 
 | Crystal Structure of the DNA-binding Transcriptional Repressor DeoR from Escherichia coli str. K-12 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Deoxyribose operon repressor, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-01 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the DNA-binding Transcriptional Repressor DeoR from Escherichia coli str. K-12. To Be Published
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2Q34
 
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6PQS
 
 | The crystal structure of 4-methylbenzoate-bound CYP199A4 | Descriptor: | 4-METHYLBENZOIC ACID, CHLORIDE ION, Cytochrome P450, ... | Authors: | Podgorski, M.N, Bruning, J.B, Bell, S.G. | Deposit date: | 2019-07-10 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions. J.Inorg.Biochem., 203, 2019
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7KU4
 
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2Q3S
 
 | Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At5g06450 | Descriptor: | Protein At5g06450 | Authors: | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2007-05-30 | Release date: | 2007-06-19 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Ensemble refinement of protein crystal structures: validation and application. Structure, 15, 2007
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7L6Z
 
 | Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-24 | Release date: | 2021-12-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6 To Be Published
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8GCZ
 
 | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with ZXC-I-090 | Descriptor: | (3S,5S)-5-(aminomethyl)-N-(4-chloro-3-fluorophenyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nguyen, D.N, Tolbert, W.D, Pazgier, M. | Deposit date: | 2023-03-03 | Release date: | 2023-06-07 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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8GD5
 
 | Crystal Structure of HIV-1 LM/HT Clade A/E CRF01 GP120 Core in Complex with DL-I-102 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 LM/HS clade A/E CRF01 gp120 core, ... | Authors: | Tolbert, W.D, Nguyen, D.N, Pazgier, M. | Deposit date: | 2023-03-03 | Release date: | 2023-06-07 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC. Viruses, 15, 2023
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2Q8P
 
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2Q93
 
 | E. coli methionine aminopeptidase Mn-form with inhibitor B21 | Descriptor: | 5-(2-METHOXYPHENYL)-2-FUROIC ACID, MANGANESE (II) ION, Methionine aminopeptidase, ... | Authors: | Ye, Q.-Z. | Deposit date: | 2007-06-12 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop flexibility in selective inhibition of bacterial enzymes. Bmc Struct.Biol., 7, 2007
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7KSV
 
 | DNA Polymerase Mu, dGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (960min) | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Jamsen, J.A, Wilson, S.H. | Deposit date: | 2020-11-24 | Release date: | 2021-12-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide. Nat Commun, 12, 2021
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7KRY
 
 | Co-crystal structure of alpha glucosidase with compound 11 | Descriptor: | (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Karade, S.S, Mariuzza, R.A. | Deposit date: | 2020-11-20 | Release date: | 2021-12-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum alpha-Glucosidases I and II with Antiviral Activity. J.Med.Chem., 64, 2021
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7KNX
 
 | Crystal structure of SND1 in complex with C-26-A6 | Descriptor: | 5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide, GLYCEROL, Staphylococcal nuclease domain-containing protein 1, ... | Authors: | Kang, Y. | Deposit date: | 2020-11-06 | Release date: | 2021-12-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-molecule inhibitors that disrupt the MTDH-SND1 complex suppress breast cancer progression and metastasis. Nat Cancer, 3, 2022
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