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6NSN
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BU of 6nsn by Molmil
TetR family transcriptional regulator CifR C99T-C181R Cysteines mutant complexed with 26bp double-strand operator DNA
Descriptor: DNA (26-MER), TetR family transcriptional regulator CifR
Authors:He, S, Madden, D.R.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular basis for the transcriptional regulation of an epoxide-based virulence circuit in Pseudomonas aeruginosa
Biorxiv, 2024
6NSM
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BU of 6nsm by Molmil
TetR family transcriptional regulator CifR C99T-C107S-C181R Cysteines mutant complexed with 26bp double-strand operator DNA
Descriptor: DNA (26-MER), TetR family transcriptional regulator CifR
Authors:He, S, Madden, D.R.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis for the transcriptional regulation of an epoxide-based virulence circuit in Pseudomonas aeruginosa
Biorxiv, 2024
6NSR
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BU of 6nsr by Molmil
TetR family transcriptional regulator CifR C99T-C181R cysteine mutant complexed with 26bp double-strand operator DNA and apo-CifR C99T-C181R
Descriptor: DNA (26-MER), TetR family transcriptional regulator CifR
Authors:He, S, Taher, N.M, Madden, D.R.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular basis for the transcriptional regulation of an epoxide-based virulence circuit in Pseudomonas aeruginosa
Biorxiv, 2024
4OG8
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BU of 4og8 by Molmil
Human menin with bound inhibitor MIV-6R
Descriptor: 2-PHOSPHOGLYCOLIC ACID, 4-(3-{4-[(R)-amino(cyclopentyl)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG5
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BU of 4og5 by Molmil
Human menin with bound inhibitor MIV-5
Descriptor: 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG4
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BU of 4og4 by Molmil
Human menin with bound inhibitor MIV-3S
Descriptor: 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG3
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BU of 4og3 by Molmil
Human menin with bound inhibitor MIV-3R
Descriptor: 4-(3-{4-[(R)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG6
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BU of 4og6 by Molmil
Human menin with bound inhibitor MIV-4
Descriptor: 4-(3-{4-[(R)-cyclopentyl(3-fluorophenyl)hydroxymethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
4OG7
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BU of 4og7 by Molmil
Human menin with bound inhibitor MIV-7
Descriptor: 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J.
Deposit date:2014-01-15
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction.
J.Med.Chem., 57, 2014
6LTH
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BU of 6lth by Molmil
Structure of human BAF Base module
Descriptor: AT-rich interactive domain-containing protein 1A, SWI/SNF complex subunit SMARCC2, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1, ...
Authors:He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
Deposit date:2020-01-22
Release date:2020-02-12
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
6LTJ
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BU of 6ltj by Molmil
Structure of nucleosome-bound human BAF complex
Descriptor: AT-rich interactive domain-containing protein 1A, Actin, cytoplasmic 1, ...
Authors:He, S, Wu, Z, Tian, Y, Yu, Z, Yu, J, Wang, X, Li, J, Liu, B, Xu, Y.
Deposit date:2020-01-22
Release date:2020-02-12
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of nucleosome-bound human BAF complex.
Science, 367, 2020
7JFO
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BU of 7jfo by Molmil
EPYC1(49-72)-bound Rubisco
Descriptor: LCI5, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain 2, ...
Authors:Matthies, D, Jonikas, M.C, He, S.
Deposit date:2020-07-17
Release date:2020-11-18
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (2.13 Å)
Cite:The structural basis of Rubisco phase separation in the pyrenoid.
Nat.Plants, 6, 2020
7JN4
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BU of 7jn4 by Molmil
Rubisco in the apo state
Descriptor: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain 2, chloroplastic
Authors:Matthies, D, Jonikas, M.C, He, S.
Deposit date:2020-08-03
Release date:2020-11-18
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:The structural basis of Rubisco phase separation in the pyrenoid.
Nat.Plants, 6, 2020
7JSX
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BU of 7jsx by Molmil
EPYC1(106-135) peptide-bound Rubisco
Descriptor: EPYC1, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain 2, ...
Authors:Matthies, D, He, S, Jonikas, M.C.
Deposit date:2020-08-16
Release date:2020-11-18
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (2.06 Å)
Cite:The structural basis of Rubisco phase separation in the pyrenoid.
Nat.Plants, 6, 2020
8I0C
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BU of 8i0c by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703
Descriptor: 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, He, S, Liu, Y, Fang, P, Sun, H.
Deposit date:2023-01-10
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
Descriptor: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
Descriptor: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
Deposit date:2022-03-01
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.694 Å)
Cite:Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
1B3E
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BU of 1b3e by Molmil
HUMAN SERUM TRANSFERRIN, N-TERMINAL LOBE, EXPRESSED IN PICHIA PASTORIS
Descriptor: CARBONATE ION, FE (III) ION, PROTEIN (SERUM TRANSFERRIN)
Authors:Bewley, M.C, Tam, B.M, Grewal, J, He, S, Shewry, S, Murphy, M.E.P, Mason, A.B, Woodworth, R.C, Baker, E.N, Macgillivray, R.T.A.
Deposit date:1998-12-09
Release date:1999-03-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray crystallography and mass spectroscopy reveal that the N-lobe of human transferrin expressed in Pichia pastoris is folded correctly but is glycosylated on serine-32.
Biochemistry, 38, 1999
6SRS
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BU of 6srs by Molmil
Structure of the Fanconi anaemia core subcomplex
Descriptor: Fanconi anaemia protein FANCL, Unassigned secondary structure elements (central region, proposed FANCB-FAAP100), ...
Authors:Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A.
Deposit date:2019-09-05
Release date:2019-11-06
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the Fanconi anaemia monoubiquitin ligase complex.
Nature, 575, 2019
6SRI
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BU of 6sri by Molmil
Structure of the Fanconi anaemia core complex
Descriptor: Fanconi anaemia protein FANCL, Unassigned secondary structure elements (base region, proposed FANCC-FANC-E-FANCF), ...
Authors:Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A.
Deposit date:2019-09-05
Release date:2019-11-06
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of the Fanconi anaemia monoubiquitin ligase complex.
Nature, 575, 2019
5N8N
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BU of 5n8n by Molmil
Contracted sheath of a Pseudomonas aeruginosa type six secretion system consisting of TssB1 and TssC1
Descriptor: EvpB family type VI secretion protein, Type VI secretion protein, family
Authors:Salih, O, He, S, Stach, L, Macdonald, J.T, Planamente, S, Manoli, E, Scheres, S, Filloux, A, Freemont, P.S.
Deposit date:2017-02-23
Release date:2018-01-10
Last modified:2018-02-14
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Atomic Structure of Type VI Contractile Sheath from Pseudomonas aeruginosa.
Structure, 26, 2018
6RZA
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BU of 6rza by Molmil
Cryo-EM structure of the human inner arm dynein DNAH7 microtubule binding domain bound to microtubules
Descriptor: Cytoplasmic dynein 1 heavy chain 1,Dynein heavy chain 7, axonemal,Cytoplasmic dynein 1 heavy chain 1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Lacey, S.E, He, S, Scheres, S.H.W, Carter, A.P.
Deposit date:2019-06-13
Release date:2019-07-10
Last modified:2019-07-17
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Cryo-EM of dynein microtubule-binding domains shows how an axonemal dynein distorts the microtubule.
Elife, 8, 2019
6RZB
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BU of 6rzb by Molmil
Cryo-EM structure of mouse cytoplasmic dynein-1 microtubule binding domain bound to microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lacey, S.E, He, S, Scheres, S.H.W, Carter, A.P.
Deposit date:2019-06-13
Release date:2019-07-10
Last modified:2019-07-17
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Cryo-EM of dynein microtubule-binding domains shows how an axonemal dynein distorts the microtubule.
Elife, 8, 2019
4U7P
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BU of 4u7p by Molmil
Crystal structure of DNMT3A-DNMT3L complex
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Wang, L, Guo, X, Li, J, Xiao, J, Yin, X, He, S, Wang, J, Xu, Y.
Deposit date:2014-07-31
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.821 Å)
Cite:Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015
4U7T
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BU of 4u7t by Molmil
Crystal structure of DNMT3A-DNMT3L in complex with histone H3
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Guo, X, Wang, L, Yin, X, Li, J, Xiao, J, He, S, Wang, J, Xu, Y.
Deposit date:2014-07-31
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Nature, 517, 2015

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