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8GJT
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BU of 8gjt by Molmil
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
2Q0R
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BU of 2q0r by Molmil
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
7KSW
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BU of 7ksw by Molmil
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
8GD0
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BU of 8gd0 by Molmil
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
8GD1
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BU of 8gd1 by Molmil
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
7KUZ
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BU of 7kuz by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56N mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-11-25
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:ALLOSTERIC SITE RESIDUE 'H56' CAPS THE INHIBITOR AT THE TIGHT DIMER INTERFACE FOR TRANSMITTING THE ALLOSTERIC INHIBITION SIGNALS IN Cj.DHDPS
To Be Published
6PSG
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BU of 6psg by Molmil
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
2Q29
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BU of 2q29 by Molmil
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
7L6J
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BU of 7l6j by Molmil
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
7L6Y
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BU of 7l6y by Molmil
Crystal Structure of the Peptidyl-Prolyl Cis-Trans Isomerase (PpiB) from Streptococcus pyogenes.
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Minasov, G, Shuvalova, L, Kiryukhina, O, 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 (1.28 Å)
Cite:Crystal Structure of the Peptidyl-Prolyl Cis-Trans Isomerase (PpiB) from Streptococcus pyogenes.
To Be Published
6PQ6
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BU of 6pq6 by Molmil
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
2Q1F
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BU of 2q1f by Molmil
Crystal structure of chondroitin sulfate lyase abc from bacteroides thetaiotaomicron wal2926
Descriptor: CALCIUM ION, Chondroitinase, PHOSPHATE ION
Authors:Shaya, D, Cygler, M.
Deposit date:2007-05-24
Release date:2008-01-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Composite active site of chondroitin lyase ABC accepting both epimers of uronic acid.
Glycobiology, 18, 2008
7L6L
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BU of 7l6l by Molmil
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
2Q34
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BU of 2q34 by Molmil
Crystal Structure of the ECH2 decarboxylase domain of CurF from Lyngbya majuscula, rhombohedral crystal form
Descriptor: CurF
Authors:Geders, T.W, Mowers, J.C, Smith, J.L.
Deposit date:2007-05-29
Release date:2007-10-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the ECH2 catalytic domain of CurF from Lyngbya majuscula. Insights into a decarboxylase involved in polyketide chain beta-branching.
J.Biol.Chem., 282, 2007
6PQS
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BU of 6pqs by Molmil
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
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
Descriptor: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, W.D.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
2Q3S
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BU of 2q3s by Molmil
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
7L6Z
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BU of 7l6z by Molmil
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
8GCZ
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BU of 8gcz by Molmil
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
8GD5
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BU of 8gd5 by Molmil
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
2Q8P
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BU of 2q8p by Molmil
Crystal Structure of selenomethionine labelled S. aureus IsdE complexed with heme
Descriptor: Iron-regulated surface determinant E, PROTOPORPHYRIN IX CONTAINING FE
Authors:Grigg, J.C, Murphy, M.E.
Deposit date:2007-06-11
Release date:2007-07-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Heme Coordination by Staphylococcus aureus IsdE.
J.Biol.Chem., 282, 2007
2Q93
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BU of 2q93 by Molmil
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
7KSV
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BU of 7ksv by Molmil
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
7KRY
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BU of 7kry by Molmil
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
7KNX
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BU of 7knx by Molmil
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

243083

数据于2025-10-15公开中

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