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7KDO
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BU of 7kdo by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-73
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
6T09
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BU of 6t09 by Molmil
Crystal structure of YTHDC1 with fragment 24 (PSI_DC1_003)
Descriptor: SULFATE ION, YTHDC1, ~{N}-pyridin-3-ylethanamide
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-10-02
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
5GXH
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BU of 5gxh by Molmil
The structure of the Gemin5 WD40 domain with AAUUUUUG
Descriptor: GLYCEROL, Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*G)-3'), ...
Authors:Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-17
Release date:2016-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
7KDR
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BU of 7kdr by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75
Descriptor: 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine, ...
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2020-10-09
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.488 Å)
Cite:Bisubstrate inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: Transition state analogs for high affinity binding.
Bioorg.Med.Chem., 29, 2021
5GXI
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BU of 5gxi by Molmil
Structure of the Gemin5 WD40 domain in complex with AAUUUUUGAG
Descriptor: Gem-associated protein 5, RNA (5'-R(*A*AP*UP*UP*UP*UP*UP*GP*AP*G)-3'), UNKNOWN ATOM OR ION
Authors:Xu, C, He, H, Li, Y, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-09-18
Release date:2016-10-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into Gemin5-guided selection of pre-snRNAs for snRNP assembly
Genes Dev., 30, 2016
6LGX
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BU of 6lgx by Molmil
Structure of Rabies virus glycoprotein at basic pH
Descriptor: Glycoprotein,Glycoprotein,Glycoprotein
Authors:Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
Deposit date:2019-12-06
Release date:2020-02-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
7YHG
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BU of 7yhg by Molmil
Solution structure of S-mono-mannosylated S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHH
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BU of 7yhh by Molmil
Solution structure of S-di-mannosylated S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHF
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BU of 7yhf by Molmil
Solution structure of S3C mutant of carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
7YHI
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BU of 7yhi by Molmil
Solution structure of O-di-mannosylated carbohydrate binding module (CBM) of the glycoside hydrolase Family 7 cellobiohydrolase from Trichoderma reesei
Descriptor: Exoglucanase 1, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose
Authors:Chen, C, Feng, Y, Tan, Z.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-09-20
Method:SOLUTION NMR
Cite:Structural insight into why S-linked glycosylation cannot adequately mimic the role of natural O-glycosylation.
Int.J.Biol.Macromol., 253, 2023
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
Descriptor: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
Authors:Wei, H, Chen, Y.
Deposit date:2019-12-07
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
1JXP
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BU of 1jxp by Molmil
BK STRAIN HEPATITIS C VIRUS (HCV) NS3-NS4A
Descriptor: NS3 SERINE PROTEASE, NS4A, ZINC ION
Authors:Yan, Y, Munshi, S, Chen, Z.
Deposit date:1997-08-21
Release date:1998-01-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form.
Protein Sci., 7, 1998
5T1I
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BU of 5t1i by Molmil
CBX3 chromo shadow domain in complex with histone H3 peptide
Descriptor: Chromobox protein homolog 3, Histone H3.1, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2016-08-19
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Peptide recognition by heterochromatin protein 1 (HP1) chromoshadow domains revisited: Plasticity in the pseudosymmetric histone binding site of human HP1.
J. Biol. Chem., 292, 2017
8PW8
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BU of 8pw8 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA2)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PWA
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BU of 8pwa by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7~{H}-purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PWB
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BU of 8pwb by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA6)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
8PW9
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BU of 8pw9 by Molmil
Crystal structure of the human METTL3-METTL14 in complex with a bisubstrate analogue (BA1)
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[2-[[9-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]methyl]oxolane-3,4-diol, ACETATE ION, MAGNESIUM ION, ...
Authors:Bedi, R.K, Etheve-Quelquejeu, M, Caflisch, A.
Deposit date:2023-07-19
Release date:2023-11-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The catalytic mechanism of the RNA methyltransferase METTL3.
Elife, 12, 2024
7JYA
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BU of 7jya by Molmil
Crystal structure of E3 ligase in complex with peptide
Descriptor: ASN-ARG-ARG-ARG-ARG-TRP-ARG-GLU-ARG-GLN-ARG, Protein fem-1 homolog C, UNKNOWN ATOM OR ION
Authors:Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC)
Deposit date:2020-08-30
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron.
Nat.Chem.Biol., 17, 2021
6N47
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BU of 6n47 by Molmil
The structure of SB-2-204-tubulin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W.
Deposit date:2018-11-17
Release date:2019-11-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors.
Acs Chem.Biol., 14, 2019
1CRL
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BU of 1crl by Molmil
INSIGHTS INTO INTERFACIAL ACTIVATION FROM AN 'OPEN' STRUCTURE OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-03-02
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Insights into interfacial activation from an open structure of Candida rugosa lipase.
J.Biol.Chem., 268, 1993
1HBT
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BU of 1hbt by Molmil
Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), P596 Inhibitor peptide
Authors:Rehse, P.H, Cygler, M.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin.
Biochemistry, 34, 1995
1TRH
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BU of 1trh by Molmil
TWO CONFORMATIONAL STATES OF CANDIDA RUGOSA LIPASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE
Authors:Grochulski, P, Cygler, M.
Deposit date:1993-11-18
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two conformational states of Candida rugosa lipase.
Protein Sci., 3, 1994
6L17
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BU of 6l17 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-09-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L11
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BU of 6l11 by Molmil
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Descriptor: 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1
Authors:Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y.
Deposit date:2019-09-27
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
6L5L
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BU of 6l5l by Molmil
Crystal structure of human DEAD-box RNA helicase DDX21 at apo state
Descriptor: MAGNESIUM ION, Nucleolar RNA helicase 2
Authors:Chen, Z.J, Hu, X.J, Zhou, Z, Li, J.X.
Deposit date:2019-10-24
Release date:2020-06-17
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Basis of Human Helicase DDX21 in RNA Binding, Unwinding, and Antiviral Signal Activation.
Adv Sci, 7, 2020

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