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5B75
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BU of 5b75 by Molmil
Crystal structure of MOZ double PHD finger in complex with histone H3 butyrylation at K14
Descriptor: Histone H3, Histone acetyltransferase KAT6A, SULFATE ION, ...
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
3QII
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BU of 3qii by Molmil
Crystal structure of tudor domain 2 of human PHD finger protein 20
Descriptor: PHD finger protein 20, UNKNOWN ATOM OR ION
Authors:Li, Z, Tempel, W, Wernimont, A.K, Chao, X, Bian, C, Lam, R, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-01-27
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins.
Febs Lett., 586, 2012
6M18
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BU of 6m18 by Molmil
ACE2-B0AT1 complex
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6S8B
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BU of 6s8b by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-09
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6M1D
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BU of 6m1d by Molmil
ACE2-B0AT1 complex, open conformation
Descriptor: Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
Deposit date:2020-02-25
Release date:2020-03-11
Last modified:2020-04-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6S91
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BU of 6s91 by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-11
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.68 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
7ZJS
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BU of 7zjs by Molmil
Structural basis of centromeric cohesion protection by SGO1
Descriptor: Cohesin subunit SA-2, Double-strand-break repair protein rad21 homolog, Shugoshin 1
Authors:Patel, A, Panne, D.
Deposit date:2022-04-11
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural basis of centromeric cohesion protection.
Nat.Struct.Mol.Biol., 30, 2023
6SIC
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BU of 6sic by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA
Descriptor: CRISPR-associated RAMP protein, Cmr1 family, Cmr4 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-09
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
8GUE
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BU of 8gue by Molmil
Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ...
Authors:Li, G.B, Pan, Y.J, Li, S.Y, Gao, X.
Deposit date:2022-09-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
6S8E
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BU of 6s8e by Molmil
Cryo-EM structure of the type III-B Cmr-beta complex bound to non-cognate target RNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-09
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6SH8
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BU of 6sh8 by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2, in the presence of ssDNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-06
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
3IEI
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BU of 3iei by Molmil
Crystal structure of human leucine carboxylmethyltransferase-1 in complex with S-adenosyl homocysteine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Leucine carboxyl methyltransferase 1, ...
Authors:Xing, Y, Jeffry, P.D.
Deposit date:2009-07-22
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Novel Functions of a pro-survival PP2A-specific Methyltransferase
To be Published
6SHB
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BU of 6shb by Molmil
Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1, in the presence of ssDNA
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-08-06
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
5C94
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BU of 5c94 by Molmil
Infectious bronchitis virus nsp9
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Non-structural protein 9
Authors:Chen, C, Dou, Y, Yang, H, Su, D.
Deposit date:2015-06-26
Release date:2016-06-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Structural basis for dimerization and RNA binding of avian infectious bronchitis virus nsp9.
Protein Sci., 26, 2017
5GTB
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BU of 5gtb by Molmil
crystal structure of intermembrane space region of the ARC6-PDV2 complex
Descriptor: Plastid division protein PDV2, Protein ACCUMULATION AND REPLICATION OF CHLOROPLASTS 6, chloroplastic
Authors:Feng, Y, Wang, W.
Deposit date:2016-08-19
Release date:2017-03-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.871 Å)
Cite:Structural insights into the coordination of plastid division by the ARC6-PDV2 complex
Nat Plants, 3, 2017
6UD2
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BU of 6ud2 by Molmil
co-crystal structure of compound 1 bound to human Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-18
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDI
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BU of 6udi by Molmil
X-ray co-crystal structure of compound 20 with Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
6UDY
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BU of 6udy by Molmil
X-ray co-crystal structure of compound 5 with Mcl-1
Descriptor: (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
3L5T
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BU of 3l5t by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution
Descriptor: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3T1F
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BU of 3t1f by Molmil
Crystal structure of the mouse CD1d-Glc-DAG-s2 complex
Descriptor: (2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Girardi, E, Zajonc, D.M.
Deposit date:2011-07-21
Release date:2011-09-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Invariant natural killer T cells recognize glycolipids from pathogenic Gram-positive bacteria.
Nat.Immunol., 12, 2011
1NS3
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BU of 1ns3 by Molmil
STRUCTURE OF HCV PROTEASE (BK STRAIN)
Descriptor: NS3 PROTEASE, NS4A PEPTIDE, ZINC ION
Authors:Yan, Y, Munshi, S, Chen, Z.
Deposit date:1997-04-05
Release date:1998-04-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 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
6S6B
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BU of 6s6b by Molmil
Type III-B Cmr-beta Cryo-EM structure of the Apo state
Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ...
Authors:Sofos, N, Montoya, G, Stella, S.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas.
Mol.Cell, 79, 2020
6UDX
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BU of 6udx by Molmil
X-ray co-crystal structure of compound 7 with Mcl-1
Descriptor: (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-09-19
Release date:2019-12-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
3L5R
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BU of 3l5r by Molmil
Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution
Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ...
Authors:McLean, L, Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
6UDT
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BU of 6udt by Molmil
X-ray co-crystal structure of compound 10 bound to human Mcl-1
Descriptor: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X, Whittington, D.
Deposit date:2019-09-19
Release date:2019-12-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019

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