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5TKD
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BU of 5tkd by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE
Descriptor: 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.K.
Deposit date:2016-10-06
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
6XLI
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BU of 6xli by Molmil
CRYSTAL STRUCTURE OF ANTI-TAU ANTIBODY PT3 Fab+pT212/pT217-TAU PEPTIDE
Descriptor: GLYCEROL, PT3 Fab Heavy Chain, PT3 Fab Light Chain, ...
Authors:Malia, T.J, Teplyakov, A, Luo, J.
Deposit date:2020-06-28
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and Functional Characterization of hPT3, a Humanized Anti-Phospho Tau Selective Monoclonal Antibody.
J Alzheimers Dis, 77, 2020
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
5C71
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BU of 5c71 by Molmil
The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid monoglucuronide
Descriptor: (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Glucuronidase, alpha-D-glucopyranuronic acid
Authors:Sun, H.L, Lv, B, Huang, S, Li, C, Jiang, T.
Deposit date:2015-06-24
Release date:2016-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure-guided engineering of the substrate specificity of a fungal beta-glucuronidase toward triterpenoid saponins.
J.Biol.Chem., 293, 2018
6UZK
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BU of 6uzk by Molmil
Crystal Structure of the Ternary Complex of KRIT1 bound to both the Rap1 GTPase and HKi6
Descriptor: 2-hydroxy-6-methoxynaphthalene-1-carbaldehyde, Krev interaction trapped protein 1, MAGNESIUM ION, ...
Authors:Gingras, A.R.
Deposit date:2019-11-15
Release date:2020-11-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:Inhibition of the HEG1-KRIT1 interaction increases KLF4 and KLF2 expression in endothelial cells.
Faseb Bioadv, 3, 2021
6V8Y
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BU of 6v8y by Molmil
Structure of a Sodium Potassium ion Channel
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ...
Authors:Roy, R, Weiss, K.L, Coates, L.
Deposit date:2019-12-12
Release date:2021-04-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural plasticity of the selectivity filter in a nonselective ion channel.
Iucrj, 8, 2021
4XXB
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BU of 4xxb by Molmil
Crystal structure of human MDM2-RPL11
Descriptor: 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ...
Authors:Zheng, J, Chen, Z.
Deposit date:2015-01-30
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
6NSL
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BU of 6nsl by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
Authors:Muckelbauer, J.M, Khan, J.A.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
2H80
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BU of 2h80 by Molmil
NMR structures of SAM domain of Deleted in Liver Cancer 2 (DLC2)
Descriptor: StAR-related lipid transfer protein 13
Authors:Li, H.Y, Fung, K.L, Jin, D.Y, Chung, S.S, Ko, B.C, Sun, H.Z.
Deposit date:2006-06-06
Release date:2007-05-15
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structures, dynamics, and lipid-binding of the sterile alpha-motif domain of the deleted in liver cancer 2
Proteins, 67, 2007
5DI0
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BU of 5di0 by Molmil
Crystal structure of Dln1
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Jia, N, Jiang, Y.L, Cheng, W, Wang, H.W, Zhou, C.Z, Chen, Y.
Deposit date:2015-08-31
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Embo Rep., 17, 2016
8HLW
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BU of 8hlw by Molmil
Crystal structure of SIRT3 in complex with H4K16la peptide
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ...
Authors:Zhuming, F, Hao, Q.
Deposit date:2022-12-01
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
8HLY
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BU of 8hly by Molmil
Crystal structure of SIRT3 in complex with H3K23la peptide
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, 1,2-ETHANEDIOL, GLYCEROL, ...
Authors:Zhuming, F, Hao, Q.
Deposit date:2022-12-01
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
8H3V
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BU of 8h3v by Molmil
Cryo-EM structure of the full transcription activation complex NtcA-NtcB-TAC
Descriptor: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
8H40
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BU of 8h40 by Molmil
Cryo-EM structure of the transcription activation complex NtcA-TAC
Descriptor: DNA (125-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Han, S.J, Jiang, Y.L, You, L.L, Shen, L.Q, Wu, X.X, Yang, F, Kong, W.W, Chen, Z.P, Zhang, Y, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
8H3Z
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BU of 8h3z by Molmil
Crystal structure of the effector-binding domain of the LysR-type trasncription factor NtcB from Anabaena PCC 7120
Descriptor: IODIDE ION, NtcB
Authors:Han, S.J, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-10-09
Release date:2023-10-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:DNA looping mediates cooperative transcription activation.
Nat.Struct.Mol.Biol., 31, 2024
2ZGT
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BU of 2zgt by Molmil
Crystal structure of Agrocybe aegerita lectin AAL mutant F93G
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGU
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BU of 2zgu by Molmil
Crystal structure Agrocybe aegerita lectin AAL mutant I144G
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGK
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BU of 2zgk by Molmil
Crystal structure of wildtype AAL
Descriptor: Anti-tumor lectin
Authors:Yang, N, Li, D.F, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGM
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BU of 2zgm by Molmil
Crystal structure of recombinant Agrocybe aegerita lectin,rAAL, complex with lactose
Descriptor: Anti-tumor lectin, SULFATE ION, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
2ZGQ
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BU of 2zgq by Molmil
Crystal structure of AAL mutant L33A in P1 spacegroup
Descriptor: Anti-tumor lectin
Authors:Li, D.F, Yang, N, Wang, D.C.
Deposit date:2008-01-23
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the tumor cell apoptosis-inducing activity of an antitumor lectin from the edible mushroom Agrocybe aegerita
J.Mol.Biol., 387, 2009
3AFK
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BU of 3afk by Molmil
Crystal Structure of Agrocybe aegerita lectin AAL complexed with Thomsen-Friedenreich antigen
Descriptor: Anti-tumor lectin, THREONINE, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
Authors:Feng, L, Li, D, Wang, D.
Deposit date:2010-03-09
Release date:2010-12-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Faseb J., 24, 2010
3AYC
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BU of 3ayc by Molmil
Crystal structure of galectin-3 CRD domian complexed with GM1 pentasaccharide
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Galectin-3, ...
Authors:Bian, C.F, Li, D.F, Wang, D.C.
Deposit date:2011-05-04
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for distinct binding properties of the human galectins to thomsen-friedenreich antigen
Plos One, 6, 2011

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