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PDB: 51586 results

8QE2
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Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 21
Descriptor: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE0
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BU of 8qe0 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 12
Descriptor: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QDZ
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BU of 8qdz by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 11
Descriptor: 3-cyclopropyl-4-(4-methoxyphenyl)-5-oxidanyl-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE1
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BU of 8qe1 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 15
Descriptor: 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.095 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8QE3
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BU of 8qe3 by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 31
Descriptor: 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.089 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8RHL
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BU of 8rhl by Molmil
Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ...
Authors:Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M.
Deposit date:2023-12-15
Release date:2024-05-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
5WPB
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BU of 5wpb by Molmil
Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-08-04
Release date:2017-08-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
5K55
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BU of 5k55 by Molmil
Human muscle fructose-1,6-bisphosphatase E69Q mutant in active R-state in complex with fructose-6-phosphate
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase isozyme 2
Authors:Barciszewski, J, Wisniewski, J, Kolodziejczyk, R, Dzugaj, A, Jaskolski, M, Rakus, D.
Deposit date:2016-05-23
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Structural studies of human muscle FBPase
To Be Published
8QDY
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BU of 8qdy by Molmil
Crystal structure of human MAT2a bound to S-Adenosylmethionine and Compound 8
Descriptor: 3-cyclopropyl-4-(4-methoxyphenyl)-1~{H}-pyrazolo[4,3-c]pyridine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M.
Deposit date:2023-08-30
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of a Series of Pyrrolopyridone MAT2A Inhibitors.
J.Med.Chem., 67, 2024
8RHK
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BU of 8rhk by Molmil
Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ...
Authors:Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M.
Deposit date:2023-12-15
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
4YC2
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BU of 4yc2 by Molmil
Crystal structure of the stabilized inner domain of clade A/E HIV-1 gp120 from E. coli in complex with the antibody A32.
Descriptor: The antibody A32 Fab heavy chain., The antibody A32 Fab light chain., The stabilized inner domain of clade A/E HIV-1 gp120 from E. coli
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-02-19
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Paring Down HIV Env: Design and Crystal Structure of a Stabilized Inner Domain of HIV-1 gp120 Displaying a Major ADCC Target of the A32 Region.
Structure, 24, 2016
4YBL
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BU of 4ybl by Molmil
Crystal structure of the stabilized inner domain of clade A/E HIV-1 gp120 in complex with the ADCC mediating ANTI-HIV-1 antibody A32
Descriptor: A32 antibody Fab heavy chain, A32 antibody light chain, Stabilized inner domain of clade A/E gp120
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2015-02-18
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Paring Down HIV Env: Design and Crystal Structure of a Stabilized Inner Domain of HIV-1 gp120 Displaying a Major ADCC Target of the A32 Region.
Structure, 24, 2016
5IP2
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BU of 5ip2 by Molmil
Tomato spotted wilt tospovirus nucleocapsid protein-ssRNA complex
Descriptor: Nucleoprotein, RNA (5'-D(P*UP*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3')
Authors:Komoda, K, Narita, M, Yamashita, K, Tanaka, I, Yao, M.
Deposit date:2016-03-09
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Asymmetric Trimeric Ring Structure of the Nucleocapsid Protein of Tospovirus.
J. Virol., 91, 2017
8JG5
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BU of 8jg5 by Molmil
Cryo-EM structure of the GI.4 Chiba VLP complexed with the CV-1A1 Fv-clasp
Descriptor: VH,SARAH, VL,SARAH, VP1
Authors:Hosaka, T, Katsura, K, Kimura-Someya, T, Someya, Y, Shirouzu, M.
Deposit date:2023-05-19
Release date:2024-04-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structural analyses of the GI.4 norovirus by cryo-electron microscopy and X-ray crystallography revealing binding sites for human monoclonal antibodies.
J.Virol., 98, 2024
5IN7
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BU of 5in7 by Molmil
X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN
Descriptor: Neuronal migration protein doublecortin
Authors:Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R.
Deposit date:2016-03-07
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies.
J.Biol.Chem., 291, 2016
6IM1
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BU of 6im1 by Molmil
Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1
Descriptor: CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), TETRAETHYLENE GLYCOL, ...
Authors:Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H.
Deposit date:2018-10-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1.
Mol.Cells, 42, 2019
7X91
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BU of 7x91 by Molmil
The SARS-CoV-2 receptor binding domain bound with an Fv-clasp form of a human neutralizing antibody Ab496
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, An Fv-clasp version of the Ab496 heavy chain, An Fv-clasp version of the Ab496 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
1CB8
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BU of 1cb8 by Molmil
CHONDROITINASE AC LYASE FROM FLAVOBACTERIUM HEPARINUM
Descriptor: CALCIUM ION, GLYCEROL, PROTEIN (CHONDROITINASE AC), ...
Authors:Fethiere, J, Eggimann, B, Cygler, M.
Deposit date:1999-03-02
Release date:1999-05-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of chondroitin AC lyase, a representative of a family of glycosaminoglycan degrading enzymes.
J.Mol.Biol., 288, 1999
5JMF
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BU of 5jmf by Molmil
Heparinase III-BT4657 gene product
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Heparinase III protein, ...
Authors:Ulaganathan, T.S, Shi, R, Yao, D, Garron, M.-L, Cherney, M, Cygler, M.
Deposit date:2016-04-28
Release date:2016-05-25
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).
Glycobiology, 27, 2017
7X8Z
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BU of 7x8z by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab188
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab188 heavy chain, Ab188 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X8W
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BU of 7x8w by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab354
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab354 heavy chain, Ab354 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
8RPK
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BU of 8rpk by Molmil
AMP-forming Acetyl-CoA synthetase from Chloroflexota bacterium without bound ligand
Descriptor: Acetate--CoA ligase, MAGNESIUM ION, POTASSIUM ION
Authors:Striska, K, Palm, G.J, Lammers, M.
Deposit date:2024-01-16
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.615 Å)
Cite:Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule.
Nat Commun, 15, 2024
7X8Y
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BU of 7x8y by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab159
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab159 heavy chain, Ab159 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
7X90
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BU of 7x90 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab326
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab326 heavy chain, Ab326 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
8R7Y
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BU of 8r7y by Molmil
Deoxyribonucleoside regulator DeoR in complex with the DNA operator
Descriptor: Deoxyribonucleoside regulator, OL18 DNA operator, strand 1, ...
Authors:Pachl, P, Soltysova, M, Rezacova, P.
Deposit date:2023-11-27
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function.
Nucleic Acids Res., 52, 2024

224004

数据于2024-08-21公开中

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