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4JVR
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BU of 4jvr by Molmil
Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
Descriptor: (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-26
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
5X5M
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BU of 5x5m by Molmil
Crystal structure of a hydrolase encoded by lin2189 from Listeria innocua
Descriptor: (+)-Yatakemycin, DIMETHYL SULFOXIDE, Lin2189 protein
Authors:Zhang, J.
Deposit date:2017-02-16
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.211 Å)
Cite:GyrI-like proteins catalyze cyclopropanoid hydrolysis to confer cellular protection
Nat Commun, 8, 2017
6JJJ
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BU of 6jjj by Molmil
Trimeric structure of Kupffer cell C-type lectin receptor Clec4f
Descriptor: C-type lectin domain family 4 member F, CALCIUM ION
Authors:Wen, Y, Ouyang, Z, Felix, J.
Deposit date:2019-02-26
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Trimeric structure of the mouse Kupffer cell C-type lectin receptor Clec4f.
Febs Lett., 594, 2020
7YAD
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BU of 7yad by Molmil
Cryo-EM structure of S309-RBD-RBD-S309 in the S309-bound Omicron spike protein (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, S309 neutralizing antibody light chain, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, F.
Deposit date:2022-06-27
Release date:2022-08-31
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YA1
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BU of 7ya1 by Molmil
Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-06-27
Release date:2022-08-31
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7Y9S
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BU of 7y9s by Molmil
Cryo-EM structure of apo SARS-CoV-2 Omicron spike protein (S-2P-GSAS)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-06-26
Release date:2022-08-31
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7Y9Z
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BU of 7y9z by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein (S-6P-RRAR) in complex with human ACE2 ectodomain (one-RBD-up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Gao, G.F, Qi, J.X, Liu, S, Zhao, Z.N.
Deposit date:2022-06-26
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
7YA0
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BU of 7ya0 by Molmil
Cryo-EM structure of hACE2-bound SARS-CoV-2 Omicron spike protein with L371S, P373S and F375S mutations (S-6P-RRAR)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-06-26
Release date:2022-09-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Omicron SARS-CoV-2 mutations stabilize spike up-RBD conformation and lead to a non-RBM-binding monoclonal antibody escape.
Nat Commun, 13, 2022
6END
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BU of 6end by Molmil
LTA4 hydrolase in complex with Compound15
Descriptor: 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2017-10-04
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
6ENB
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BU of 6enb by Molmil
LTA4 hydrolase (E297Q) mutant in complex with Pro-Gly-Pro peptide
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Srinivas, H.
Deposit date:2017-10-04
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
4JWR
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BU of 4jwr by Molmil
Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
Authors:Shaffer, P.L.
Deposit date:2013-03-27
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
6ENC
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BU of 6enc by Molmil
LTA4 hydrolase in complex with Compound11
Descriptor: 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Srinivas, H.
Deposit date:2017-10-04
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Feasibility and physiological relevance of designing highly potent aminopeptidase-sparing leukotriene A4 hydrolase inhibitors.
Sci Rep, 7, 2017
5XFS
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BU of 5xfs by Molmil
Crystal structure of PE8-PPE15 in complex with EspG5 from M. tuberculosis
Descriptor: ESX-5 secretion-associated protein EspG5, PE family protein PE8, PPE family protein PPE15
Authors:Chen, X, Au, S.W.N.
Deposit date:2017-04-11
Release date:2017-08-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of the PE-PPE protein interaction in Mycobacterium tuberculosis.
J. Biol. Chem., 292, 2017
3WY7
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BU of 3wy7 by Molmil
Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF
Descriptor: 8-amino-7-oxononanoate synthase
Authors:Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J.
Deposit date:2014-08-20
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
8GT6
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BU of 8gt6 by Molmil
human STING With agonist HB3089
Descriptor: 1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide, Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
8GSZ
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BU of 8gsz by Molmil
Structure of STING SAVI-related mutant V147L
Descriptor: Stimulator of interferon genes protein
Authors:Wang, Z, Yu, X.
Deposit date:2022-09-07
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural insights into a shared mechanism of human STING activation by a potent agonist and an autoimmune disease-associated mutation.
Cell Discov, 8, 2022
5CR5
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BU of 5cr5 by Molmil
X-RAY CRYSTAL STRUCTURE AT 1.61A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIPHENYL PYRROLIDINE ETHER COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
Descriptor: 1,2-ETHANEDIOL, 3-({(3R)-1-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}oxy)-N-methyl-2'-[(methylsulfonyl)amino]biphenyl-4-carboxamide, Branched-chain-amino-acid aminotransferase, ...
Authors:Somers, D.O.
Deposit date:2015-07-22
Release date:2015-08-12
Last modified:2015-09-02
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library.
Acs Med.Chem.Lett., 6, 2015
3OPT
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BU of 3opt by Molmil
Crystal structure of the Rph1 catalytic core with a-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, DNA damage-responsive transcriptional repressor RPH1, NICKEL (II) ION
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3OPW
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BU of 3opw by Molmil
Crystal Structure of the Rph1 catalytic core
Descriptor: DNA damage-responsive transcriptional repressor RPH1
Authors:Chang, Y, Wu, J, Tong, X, Zhou, J, Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3GF8
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BU of 3gf8 by Molmil
Crystal structure of putative polysaccharide binding proteins (DUF1812) (NP_809975.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, putative polysaccharide binding proteins (DUF1812)
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-02-26
Release date:2009-03-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A conserved fold for fimbrial components revealed by the crystal structure of a putative fimbrial assembly protein (BT1062) from Bacteroides thetaiotaomicron at 2.2 A resolution
Acta Crystallogr.,Sect.F, 66, 2010
6L56
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BU of 6l56 by Molmil
Fe(II) loaded Tegillarca granosa ferritin
Descriptor: FE (II) ION, FE (III) ION, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85300577 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6KZY
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BU of 6kzy by Molmil
Cu(II) loaded Tegillarca granosa ferritin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-09-25
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.30057073 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6L55
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BU of 6l55 by Molmil
Recombinant Tegillarca granosa ferritin
Descriptor: FE (III) ION, FORMIC ACID, Ferritin, ...
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.78304863 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
6L58
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BU of 6l58 by Molmil
Cu(II) loaded Tegillarca granosa M-ferritin soaked with Fe(II)
Descriptor: COPPER (II) ION, Ferritin
Authors:Jiang, Q.Q, Su, X.R, Ming, T.H, Huan, H.S.
Deposit date:2019-10-22
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.90270972 Å)
Cite:Structural Insights Into the Effects of Interactions With Iron and Copper Ions on Ferritin From the Blood Clam Tegillarca granosa.
Front Mol Biosci, 9, 2022
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022

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