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4TRO
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BU of 4tro by Molmil
Structure of the enoyl-ACP reductase of Mycobacterium tuberculosis InhA, inhibited with the active metabolite of isoniazid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
Authors:Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
Deposit date:2014-06-17
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
4S2G
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BU of 4s2g by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 5.8
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4S2E
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BU of 4s2e by Molmil
Phosphate ion bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: PHOSPHATE ION, Thymidylate kinase
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
4TRM
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BU of 4trm by Molmil
Structure of the apo form of InhA from Mycobacterium tuberculosis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
Deposit date:2014-06-17
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
4S3Q
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BU of 4s3q by Molmil
Amylomaltase MalQ from Escherichia coli in complex with maltose
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, IODIDE ION, ...
Authors:Weiss, S.C, Schiefner, A.
Deposit date:2015-03-26
Release date:2015-07-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015
4TMR
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BU of 4tmr by Molmil
Crystal structure of ternary complex of Plasmodium vivax SHMT with glycine and a novel pyrazolopyran 99S: methyl 5-{3-[(4S)-6-amino-5-cyano-3-methyl-4-(propan-2-yl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-5-cyanophenyl}thiophene-2-carboxylate .
Descriptor: CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], Serine hydroxymethyltransferase, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Witschel, M.C.
Deposit date:2014-06-02
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT): Cocrystal Structures of Pyrazolopyrans with Potent Blood- and Liver-Stage Activities.
J.Med.Chem., 58, 2015
4TS5
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BU of 4ts5 by Molmil
Sulfolobus solfataricus adenine phosphoribosyltransferase with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, Purine phosphoribosyltransferase (GpT-1)
Authors:Kadziola, A.
Deposit date:2014-06-18
Release date:2014-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Biochemistry, 54, 2015
4TRB
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BU of 4trb by Molmil
Sulfolobus solfataricus adenine phosphoribosyltransferase
Descriptor: PHOSPHATE ION, Purine phosphoribosyltransferase (GpT-1)
Authors:Kadziola, A.
Deposit date:2014-06-16
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Biochemistry, 54, 2015
4RP7
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BU of 4rp7 by Molmil
Structure of the amyloid-forming segment TIITLE from p53 (residues 253-258)
Descriptor: TIITLE hexapeptide segment from p53, ZINC ION
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.576 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
4RP6
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BU of 4rp6 by Molmil
Structure of the amyloid-forming segment LTIITLE from p53 (residues 252-258)
Descriptor: LTIITLE heptapeptide segment from p53
Authors:Soriaga, A.B, Soragni, A, Eisenberg, D.
Deposit date:2014-10-29
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Designed Inhibitor of p53 Aggregation Rescues p53 Tumor Suppression in Ovarian Carcinomas.
Cancer Cell, 29, 2016
4RQB
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BU of 4rqb by Molmil
Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)
Descriptor: CHLORIDE ION, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (tetragonal space group)
To be Published
4S2F
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BU of 4s2f by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 4.4
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4S35
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BU of 4s35 by Molmil
AMPPCP and TMP bound Crystal structure of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Biswas, A, Jeyakanthan, J, Sekar, K, Kuramitsu, S, Yokoyama, S.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Febs J., 284, 2017
4RQA
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BU of 4rqa by Molmil
Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (orthorhombic space group)
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2014-10-31
Release date:2014-11-26
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of a Hypoxanthine Phosphoribosyltransferase (target ID NYSGRC-029686) from Staphylococcus aureus (orthorhombic space group)
To be Published
4RUV
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BU of 4ruv by Molmil
Crystal structure of thioredoxin 2 from Staphylococcus aureus NCTC8325
Descriptor: Thioredoxin
Authors:Bose, M, Biswas, R, Roychowdhury, A, Bhattacharyya, S, Ghosh, A.K, Das, A.K.
Deposit date:2014-11-22
Release date:2015-12-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Elucidation of the mechanism of disulfide exchange between staphylococcal thioredoxin2 and thioredoxin reductase2: A structural insight.
Biochimie, 160, 2019
4S3R
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BU of 4s3r by Molmil
Amylomaltase MalQ from Escherichia coli in complex with the pseudo-heptasaccharide acarviosine-glucose-acarbose
Descriptor: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, ACARBOSE DERIVED HEPTASACCHARIDE
Authors:Weiss, S.C, Schiefner, A.
Deposit date:2015-03-26
Release date:2015-07-08
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli.
J.Biol.Chem., 290, 2015
4TRC
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BU of 4trc by Molmil
Sulfolobus solfataricus adenine phosphoribosyltransferase with adenine
Descriptor: ADENINE, PHOSPHATE ION, Purine phosphoribosyltransferase (GpT-1)
Authors:Kadziola, A.
Deposit date:2014-06-16
Release date:2014-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Biochemistry, 54, 2015
4TRN
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BU of 4trn by Molmil
STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, INHA, ...
Authors:Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
Deposit date:2014-06-17
Release date:2015-04-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
4S2H
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BU of 4s2h by Molmil
Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Kovalevsky, A, Wan, Q, Langan, P.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2019-12-25
Method:NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
4TS7
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BU of 4ts7 by Molmil
Sulfolobus solfataricus adenine phosphoribosyltransferase with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Purine phosphoribosyltransferase (GpT-1)
Authors:Kadziola, A.
Deposit date:2014-06-18
Release date:2014-07-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase.
Biochemistry, 54, 2015
4TXD
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BU of 4txd by Molmil
Crystal structure of Thermofilum pendens Csc2
Descriptor: Csc2, ZINC ION
Authors:Hrle, A, Conti, E.
Deposit date:2014-07-03
Release date:2014-08-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.818 Å)
Cite:Structural analyses of the CRISPR protein Csc2 reveal the RNA-binding interface of the type I-D Cas7 family.
Rna Biol., 11, 2014
4U2S
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BU of 4u2s by Molmil
Cholesterol oxidase in the reduced state complexed with isopropanol
Descriptor: Cholesterol oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Golden, E.A, Vrielink, A.
Deposit date:2014-07-18
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization.
Acta Crystallogr.,Sect.D, 70, 2014
4U6H
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BU of 4u6h by Molmil
Vaccinia L1/M12B9-Fab complex
Descriptor: Heavy chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Light chain of murine anti-vaccinia L1 IgG2a antibody M12B9, Protein L1
Authors:Matho, M.H, Schlossman, A, Zajonc, D.M.
Deposit date:2014-07-29
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Potent neutralization of vaccinia virus by divergent murine antibodies targeting a common site of vulnerability in l1 protein.
J.Virol., 88, 2014
4TW1
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BU of 4tw1 by Molmil
Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH
Descriptor: Possible leukocidin subunit
Authors:Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E.
Deposit date:2014-06-29
Release date:2014-11-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH.
J.Biol.Chem., 290, 2015
4U2T
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BU of 4u2t by Molmil
Cholesterol oxidase in the oxidised state complexed with isopropanol
Descriptor: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Golden, E.A, Vrielink, A.
Deposit date:2014-07-18
Release date:2014-12-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.223 Å)
Cite:High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization.
Acta Crystallogr.,Sect.D, 70, 2014

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数据于2024-05-29公开中

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