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6P0X
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BU of 6p0x by Molmil
Structure of the N-terminal domain of effector protein SpvB from Salmonella typhimurium strain LT2
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACRYLIC ACID, GLYCEROL, ...
Authors:Xu, C, Boniecki, M, Cygler, M.
Deposit date:2019-05-17
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the N-terminal domain of effector protein SpvB from Salmonella typhimurium strain LT2
To Be Published
6PC1
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BU of 6pc1 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA (E143A) in complex with ppGpp
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, ...
Authors:Song, H, Wang, C, Shaw, G.X, Ji, X.
Deposit date:2019-06-15
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
6P7K
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BU of 6p7k by Molmil
Structure of HMG-CoA reductase from Burkholderia cenocepacia
Descriptor: 3-hydroxy-3-methylglutaryl coenzyme A reductase, ADENOSINE-5'-DIPHOSPHATE, COENZYME A
Authors:Walker, A.M, Peacock, R.B, Hicks, C.W, Dewing, S.M, Lewis, K.M, Abboud, J, Stewart, S.W.A, Kang, C, Watson, J.M.
Deposit date:2019-06-05
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.722 Å)
Cite:Structural and Functional Characterization of Dynamic Oligomerization in Burkholderia cenocepacia HMG-CoA Reductase.
Biochemistry, 58, 2019
6PC0
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BU of 6pc0 by Molmil
Crystal structure of Helicobacter pylori PPX/GppA
Descriptor: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, D-MALATE, ...
Authors:Song, H, Wang, C, Shaw, G.X, Ji, X.
Deposit date:2019-06-15
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
6PMU
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BU of 6pmu by Molmil
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
Descriptor: Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE
Authors:Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae
To Be Published
6PNZ
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BU of 6pnz by Molmil
The structure of the Aspartate Transcarbamoylase trimer from Staphylococcus aureus complexed with PALA at 2.27 Resolution.
Descriptor: Aspartate carbamoyltransferase, N-(PHOSPHONACETYL)-L-ASPARTIC ACID
Authors:Edwards, B.F.P, Evans, D.R, Patel, C.
Deposit date:2019-07-03
Release date:2020-07-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The structure of the Aspartate Transcarbamoylase trimer from Staphylococcus aureus complexed with PALA at 2.27 Resolution.
To Be Published
6PAN
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BU of 6pan by Molmil
Structure of a bacterial Atm1-family ABC exporter with ATP bound
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATM1-type heavy metal exporter
Authors:Fan, C, Kaiser, J.T, Rees, D.C.
Deposit date:2019-06-11
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P54
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BU of 6p54 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by ceftriaxone
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
6PBZ
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BU of 6pbz by Molmil
Crystal structure of Escherichia coli GppA
Descriptor: CHLORIDE ION, Guanosine-5'-triphosphate,3'-diphosphate pyrophosphatase
Authors:Song, H, Shaw, G.X, Wang, C, Ji, X.
Deposit date:2019-06-15
Release date:2019-11-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.475 Å)
Cite:Structure and activity of PPX/GppA homologs from Escherichia coli and Helicobacter pylori.
Febs J., 287, 2020
6PGO
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BU of 6pgo by Molmil
Crystal structure of human KRAS G12C covalently bound to a phthalazine inhibitor
Descriptor: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-24
Release date:2019-12-25
Last modified:2020-01-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a Covalent Inhibitor of KRASG12C(AMG 510) for the Treatment of Solid Tumors.
J.Med.Chem., 63, 2020
6PBA
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BU of 6pba by Molmil
Structure of ClpC1-NTD
Descriptor: ATP-dependent Clp protease ATP-binding subunit ClpC1
Authors:Abad-Zapatero, C, Wolf, N.M.
Deposit date:2019-06-13
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
6PBQ
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BU of 6pbq by Molmil
Structure of ClpC1-NTD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ATP-dependent Clp protease ATP-binding subunit ClpC1, PHOSPHATE ION
Authors:Abad-Zapatero, C, Wolf, N.M.
Deposit date:2019-06-14
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of the N-terminal domain of ClpC1 in complex with the antituberculosis natural product ecumicin reveals unique binding interactions.
Acta Crystallogr D Struct Biol, 76, 2020
6CJJ
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BU of 6cjj by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ...
Authors:Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC)
Deposit date:2018-02-26
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6CH0
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BU of 6ch0 by Molmil
Structure of the Quorum Quenching lactonase from Alicyclobacillus acidoterrestris bound to a glycerol molecule
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, COBALT (II) ION, ...
Authors:Bergonzi, C, Schwab, M, Naik, T, Daude, D, Chabriere, E, Elias, M.
Deposit date:2018-02-21
Release date:2018-08-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Sci Rep, 8, 2018
6P0Q
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BU of 6p0q by Molmil
Crystal Structure of Ubiquitin-like Domain of Human WDR12
Descriptor: 1,2-ETHANEDIOL, Ribosome biogenesis protein WDR12
Authors:Halabelian, L, Dong, A, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-05-17
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal Structure of Ubiquitin-like Domain of Human WDR12
to be published
6COA
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BU of 6coa by Molmil
1.2 A Structure of Thaumatin Crystallized in Gel
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:Sauter, C, Lorber, B, Shabalin, I.G, Porebski, P.J, Brzezinski, D, Giege, R.
Deposit date:2018-03-12
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Towards atomic resolution with crystals grown in gel: the case of thaumatin seen at room temperature.
Proteins, 48, 2002
6P5H
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BU of 6p5h by Molmil
Structure of MavC middle insertion domain
Descriptor: MavC
Authors:Negron Teron, K.I, Puvar, K, Iyer, S, Das, C.
Deposit date:2019-05-30
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6CXN
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BU of 6cxn by Molmil
HRFLRH peptide NMR structure
Descriptor: Hexapeptide HRFLRH
Authors:Pires, D.A.T, Arake, L.M.R, Silva, L.P, Lopez-Castillo, A, Prates, M.V, Nascimento, C.J, Bloch Jr, C.
Deposit date:2018-04-03
Release date:2018-07-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A previously undescribed hexapeptide His-Arg-Phe-Leu-Arg-His-NH2from amphibian skin secretion shows CO2and metal biding affinities.
Peptides, 106, 2018
6CJP
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BU of 6cjp by Molmil
Candida albicans Hsp90 nucleotide binding domain in complex with radicicol
Descriptor: (1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one, Heat shock protein 90 homolog
Authors:Nation, C, Pizarro, J.C.
Deposit date:2018-02-26
Release date:2019-01-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
6P5B
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BU of 6p5b by Molmil
Crystal Structure of MavC in Complex with Ub-UbE2N
Descriptor: MavC, Ubiquitin, Ubiquitin-conjugating enzyme E2 N
Authors:Puvar, K, Iyer, S, Negron Teron, K.I, Das, C.
Deposit date:2019-05-30
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Legionella effector MavC targets the Ube2N~Ub conjugate for noncanonical ubiquitination.
Nat Commun, 11, 2020
6P6D
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BU of 6p6d by Molmil
HUMAN IGG1 FC FRAGMENT, C239 INSERTION MUTANT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, IgG1 Fc fragment
Authors:Gallagher, D.T, Dimasi, N, McCullough, C.
Deposit date:2019-06-03
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure and Dynamics of a Site-Specific Labeled Fc Fragment with Altered Effector Functions.
Pharmaceutics, 11, 2019
6P55
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BU of 6p55 by Molmil
Crystal structure of transpeptidase domain of PBP2 from Neisseria gonorrhoeae acylated by cefixime
Descriptor: DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, cefixime, ...
Authors:Singh, A, Davies, C.
Deposit date:2019-05-29
Release date:2019-08-07
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Recognition of the beta-lactam carboxylate triggers acylation ofNeisseria gonorrhoeaepenicillin-binding protein 2.
J.Biol.Chem., 294, 2019
4UDB
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BU of 4udb by Molmil
MR in complex with desisobutyrylciclesonide
Descriptor: DESISOBUYTYRYL CICLESONIDE, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Edman, K, Hogner, A, Hussein, A, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, JellesmarkJensen, T, Cavallin, A, Nilsson, E, Lepisto, M, Guallar, V.
Deposit date:2014-12-09
Release date:2015-11-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
6PDM
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BU of 6pdm by Molmil
Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
Descriptor: Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION
Authors:Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2019-06-19
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9)
To Be Published
6P8W
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BU of 6p8w by Molmil
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor.
Descriptor: CALCIUM ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2019-06-08
Release date:2019-08-28
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery ofN-(1-Acryloylazetidin-3-yl)-2-(1H-indol-1-yl)acetamides as Covalent Inhibitors of KRASG12C.
Acs Med.Chem.Lett., 10, 2019

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数据于2024-09-25公开中

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