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5N1X
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BU of 5n1x by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
Descriptor: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-02-06
Release date:2017-05-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
6EW7
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BU of 6ew7 by Molmil
Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand
Descriptor: 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
Authors:Robb, G, Ferguson, A, Hargreaves, D.
Deposit date:2017-11-03
Release date:2018-10-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6.
ACS Chem. Biol., 13, 2018
2RIY
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BU of 2riy by Molmil
B-specific-1,3-galactosyltransferase (GTB)+H-antigen acceptor
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-13
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2RJ4
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BU of 2rj4 by Molmil
B-specific alpha-1,3-galactosyltransferase G176R +UDP+ADA
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2RIX
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BU of 2rix by Molmil
B-specific-1,3-galactosyltransferase)(GTB) + UDP
Descriptor: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-13
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2RJ9
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BU of 2rj9 by Molmil
B-specific alpha-1,3-galactosyltransferase (GTB) + UDP+ Amino-deoxy-acceptor
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
4BB4
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BU of 4bb4 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-(2-methoxyethyl)-4-[(6-pyridin-4-ylquinazolin-2-yl)amino]benzamide
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
Deposit date:2012-09-19
Release date:2013-02-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf V600E Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
4FK3
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BU of 4fk3 by Molmil
B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203
Descriptor: N-{2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Wang, W, Zhang, K.Y.J.
Deposit date:2012-06-12
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity.
Proc.Natl.Acad.Sci.USA, 105, 2008
7O25
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BU of 7o25 by Molmil
Complex-B bound [FeFe]-hydrogenase maturase HydE from T. maritima (reaction triggered in the crystal)
Descriptor: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, ...
Authors:Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
Deposit date:2021-03-30
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O26
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BU of 7o26 by Molmil
Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (5'dA + Methionine)
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CARBON MONOXIDE, ...
Authors:Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
Deposit date:2021-03-30
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O1S
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BU of 7o1s by Molmil
Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Wild-type protein)
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, CARBON MONOXIDE, CYANIDE ION, ...
Authors:Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
Deposit date:2021-03-30
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
7O1O
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BU of 7o1o by Molmil
Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Auxiliary cluster deleted variant)
Descriptor: CARBON MONOXIDE, CHLORIDE ION, CYANIDE ION, ...
Authors:Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
Deposit date:2021-03-30
Release date:2021-05-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
4BP2
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BU of 4bp2 by Molmil
CRYSTALLOGRAPHIC REFINEMENT OF BOVINE PRO-PHOSPHOLIPASE A2 AT 1.6 ANGSTROMS RESOLUTION
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, PHOSPHOLIPASE A2
Authors:Finzel, B.C, Weber, P.C, Ohlendorf, D.H, Salemme, F.R.
Deposit date:1990-09-07
Release date:1991-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic refinement of bovine pro-phospholipase A2 at 1.6 A resolution.
Acta Crystallogr.,Sect.B, 47, 1991
7AUX
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BU of 7aux by Molmil
Crystal structure of OXA-48 beta-lactamase in the complex with the inhbitor ID2
Descriptor: 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid, Beta-lactamase, CHLORIDE ION
Authors:Pochetti, G, Montanari, R, Capelli, D, Garofalo, B, Ombrato, R.
Deposit date:2020-11-03
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of Novel Chemical Series of OXA-48 beta-Lactamase Inhibitors by High-Throughput Screening.
Pharmaceuticals, 14, 2021
7YST
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BU of 7yst by Molmil
Crystal Structure of UDP-glucose 4-epimerase (Rv3634c) in complex with both UDP-glucose and UDP-galactose in chain B from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, GALACTOSE-URIDINE-5'-DIPHOSPHATE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Yadav, S, Bhatia, I, Biswal, B.K.
Deposit date:2022-08-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of UDP-glucose 4-epimerase (Rv3634c) in complex with both UDP-glucose and UDP-galactose in chain B from Mycobacterium tuberculosis
To Be Published
7YSA
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BU of 7ysa by Molmil
Crystal Structure of UDP-glucose 4-epimerase (Rv3634c) in complex with UDP-glucose in chain A and UDP-galactose in chain B from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GALACTOSE-URIDINE-5'-DIPHOSPHATE, ...
Authors:Yadav, S, Bhatia, I, Biswal, B.K.
Deposit date:2022-08-11
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of UDP-glucose 4-epimerase (Rv3634c) in complex with UDP-glucose in chainA and UDP-galactose in chain B from Mycobacterium tuberculosis
To Be Published
8RMP
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BU of 8rmp by Molmil
Influenza polymerase A/H7N9-4M (ENDO(R) | Core1)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-08
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RMQ
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BU of 8rmq by Molmil
Influenza polymerase A/H7N9-4M (ENDO(R) | Core2)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-08
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RMS
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BU of 8rms by Molmil
Influenza polymerase A/H7N9-4M replicase minus 627(R) (from "Influenza polymerase A/H7N9-4M replication complex" | Local refinement)
Descriptor: MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-08
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RN0
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BU of 8rn0 by Molmil
Influenza polymerase A/H7N9-4M encapsidase plus 627(R) / human ANP32A (from "Influenza polymerase A/H7N9-4M replication complex" | Local refinement)
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member A, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-09
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
8RDF
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BU of 8rdf by Molmil
Crystal structure of Haemophilus influenzae type b (Hib) DP3 oligosaccharide bound to Fab CA4
Descriptor: Fab CA4 H chain, Fab CA4 L chain, Haemophilus influenzae type b (Hib) DP3 oligosaccharide, ...
Authors:Nonne, F, Dello Iacono, L.
Deposit date:2023-12-08
Release date:2024-05-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:A Multidisciplinary Structural Approach to the Identification of the Haemophilus influenzae Type b Capsular Polysaccharide Protective Epitope.
Acs Cent.Sci., 10, 2024
8RDA
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BU of 8rda by Molmil
Crystal structure of Haemophilus influenzae type b (Hib) DP2 oligosaccharide bound to Fab CA4
Descriptor: 1,2-ETHANEDIOL, Fab CA4 H chain, Fab CA4 L chain, ...
Authors:Nonne, F, Dello Iacono, L.
Deposit date:2023-12-07
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Multidisciplinary Structural Approach to the Identification of the Haemophilus influenzae Type b Capsular Polysaccharide Protective Epitope.
Acs Cent.Sci., 10, 2024
2RVC
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BU of 2rvc by Molmil
Solution structure of Zalpha domain of goldfish ZBP-containing protein kinase
Descriptor: Interferon-inducible and double-stranded-dependent eIF-2kinase
Authors:Lee, A, Park, C, Park, J, Kwon, M, Choi, Y, Kim, K, Choi, B, Lee, J.
Deposit date:2015-07-08
Release date:2016-02-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Z-DNA binding domain of PKR-like protein kinase from Carassius auratus and quantitative analyses of the intermediate complex during B-Z transition.
Nucleic Acids Res., 44, 2016
8RMR
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BU of 8rmr by Molmil
Influenza polymerase A/H7N9-4M replication complex, an asymmetric polymerase dimer bound to human ANP32A
Descriptor: Acidic leucine-rich nuclear phosphoprotein 32 family member A, MAGNESIUM ION, Polymerase acidic protein, ...
Authors:Arragain, B, Cusack, S.
Deposit date:2024-01-08
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structures of influenza A and B replication complexes give insight into avian to human host adaptation and reveal a role of ANP32 as an electrostatic chaperone for the apo-polymerase.
Nat Commun, 15, 2024
2RIT
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BU of 2rit by Molmil
Unliganded B-specific-1,3-galactosyltransferase (GTB)
Descriptor: GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-12
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008

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