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4NYV
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BU of 4nyv by Molmil
Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
Descriptor: 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one, CREB-binding protein
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, Martin, S, Monteiro, O.P, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-12-11
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand
TO BE PUBLISHED
6JQR
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BU of 6jqr by Molmil
Crystal structure of FLT3 in complex with gilteritinib
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide, GLYCEROL, ...
Authors:Amano, Y.
Deposit date:2019-04-01
Release date:2019-11-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Effect of Fms-like tyrosine kinase 3 (FLT3) ligand (FL) on antitumor activity of gilteritinib, a FLT3 inhibitor, in mice xenografted with FL-overexpressing cells.
Oncotarget, 10, 2019
2IPO
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BU of 2ipo by Molmil
E. coli Aspartate Transcarbamoylase complexed with N-phosphonacetyl-L-asparagine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ...
Authors:Cardia, J.P, Eldo, J, Xia, J, O'Day, E.M, Tsuruta, H, Kantrowitz, E.R.
Deposit date:2006-10-12
Release date:2007-08-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Use of L-asparagine and N-phosphonacetyl-L-asparagine to investigate the linkage of catalysis and homotropic cooperativity in E. coli aspartate transcarbomoylase.
Proteins, 71, 2008
5VG7
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BU of 5vg7 by Molmil
Crystal Structure of the R503Q missense variant of human PGM1
Descriptor: GLYCEROL, MAGNESIUM ION, Phosphoglucomutase-1, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2017-04-10
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95000327 Å)
Cite:A Hotspot for Disease-Associated Variants of Human PGM1 Is Associated with Impaired Ligand Binding and Loop Dynamics.
Structure, 26, 2018
1KM0
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BU of 1km0 by Molmil
Crystal structure of orotidine monophosphate decarboxylase mutant D70N complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
7YXZ
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BU of 7yxz by Molmil
Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Coenzyme A
Descriptor: COENZYME A, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Coyne, A.G, Blundell, T.L.
Deposit date:2022-02-17
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Front Mol Biosci, 9, 2022
4CAK
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BU of 4cak by Molmil
Three-dimensional reconstruction of intact human integrin alphaIIbbeta3 in a phospholipid bilayer nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin alpha-IIb, ...
Authors:Choi, W.S, Rice, W.J, Stokes, D.L, Coller, B.S.
Deposit date:2013-10-08
Release date:2013-10-30
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (20.5 Å)
Cite:Three-Dimensional Reconstruction of Intact Human Integrin Alphaiibbeta3; New Implications for Activation-Dependent Ligand Binding.
Blood, 122, 2013
2XDY
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BU of 2xdy by Molmil
Crystal structure of the N. crassa QDE-2 AGO MID domain
Descriptor: GLYCEROL, POST-TRANSCRIPTIONAL GENE SILENCING PROTEIN QDE-2, SULFATE ION
Authors:Boland, A, Tritschler, F, Weichenrieder, O.
Deposit date:2010-05-10
Release date:2010-06-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure and Ligand Binding of the Mid Domain of a Eukaryotic Argonaute Protein.
Embo Rep., 11, 2010
4PFN
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BU of 4pfn by Molmil
Crystal structure of Plasmodium vivax SHMT with L-serine Schiff base
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, SERINE, ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U.
Deposit date:2014-04-30
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
7V0J
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BU of 7v0j by Molmil
Crystal structure of a CelR catalytic domain active site mutant with bound cellobiose product
Descriptor: CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G.
Deposit date:2022-05-10
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
7UNP
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BU of 7unp by Molmil
Crystal structure of the CelR catalytic domain and CBM3c
Descriptor: CALCIUM ION, Glucanase
Authors:Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G.
Deposit date:2022-04-11
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
1KJL
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BU of 1kjl by Molmil
High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc
Descriptor: BROMIDE ION, CHLORIDE ION, Galectin-3, ...
Authors:Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J.
Deposit date:2001-12-04
Release date:2005-04-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction.
J.Am.Chem.Soc., 127, 2005
7V0I
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BU of 7v0i by Molmil
Crystal structure of a CelR catalytic domain active site mutant with bound cellohexaose substrate
Descriptor: CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G.
Deposit date:2022-05-10
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023
15C8
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BU of 15c8 by Molmil
CATALYTIC ANTIBODY 5C8, FREE FAB
Descriptor: IGG 5C8 FAB (HEAVY CHAIN), IGG 5C8 FAB (LIGHT CHAIN)
Authors:Gruber, K, Wilson, I.A.
Deposit date:1998-03-18
Release date:1999-03-23
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ligand-Induced Conformational Changes in a Catalytic Antibody: Comparison of the Bound and Unbound Structure of Fab 5C8
To be Published
1KLY
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BU of 1kly by Molmil
Orotidine monophosphate decarboxylase D70G mutant complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM4
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BU of 1km4 by Molmil
crystal structure of ODCase mutant K72A complexed with UMP
Descriptor: OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, URIDINE-5'-MONOPHOSPHATE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
5V6O
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BU of 5v6o by Molmil
Crystal Structure of the highly open channel-stabilized mutant G-2'I + I9'A of GLIC
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ...
Authors:Gonzalez-Gutierrez, G, Grosman, C.
Deposit date:2017-03-17
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.121 Å)
Cite:Chasing the open-state structure of pentameric ligand-gated ion channels.
J. Gen. Physiol., 149, 2017
1KM2
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BU of 1km2 by Molmil
crystal structure of orotidine monophosphate mutant Q185A with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
6OMM
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BU of 6omm by Molmil
Cryo-EM structure of formyl peptide receptor 2/lipoxin A4 receptor in complex with Gi
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhuang, Y, Liu, H, de Waal, P.W, Zhou, X.E, Wang, L, Meng, X, Zhao, G, Kang, Y, Melcher, K, Xu, H.E, Zhang, C.
Deposit date:2019-04-19
Release date:2020-02-26
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structure of formylpeptide receptor 2-Gicomplex reveals insights into ligand recognition and signaling.
Nat Commun, 11, 2020
3WX2
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BU of 3wx2 by Molmil
Mouse Cereblon thalidomide binding domain, native
Descriptor: Protein cereblon, SULFATE ION, ZINC ION
Authors:Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
3WX1
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BU of 3wx1 by Molmil
Mouse Cereblon thalidomide binding domain, selenomethionine derivative
Descriptor: Protein cereblon, SULFATE ION, ZINC ION
Authors:Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
Deposit date:2014-07-10
Release date:2014-08-06
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
1KM1
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BU of 1km1 by Molmil
Orotidine monophosphate decarboxylase mutant S127A crystal structure
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
1KM5
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BU of 1km5 by Molmil
Crystal structure of ODCase mutant D75N complexed with 6-azaUMP
Descriptor: 6-AZA URIDINE 5'-MONOPHOSPHATE, CHLORIDE ION, OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Wu, N, Gillon, W, Pai, E.F.
Deposit date:2001-12-13
Release date:2002-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography.
Biochemistry, 41, 2002
5VEC
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BU of 5vec by Molmil
Crystal Structure of the R515L missense variant of human PGM1
Descriptor: GLYCEROL, MAGNESIUM ION, Phosphoglucomutase-1, ...
Authors:Stiers, K.M, Beamer, L.J.
Deposit date:2017-04-04
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.20001626 Å)
Cite:A Hotspot for Disease-Associated Variants of Human PGM1 Is Associated with Impaired Ligand Binding and Loop Dynamics.
Structure, 26, 2018
4NQN
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BU of 4nqn by Molmil
Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
Descriptor: 2-chloro-N-[5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-2-(morpholin-4-yl)phenyl]benzenesulfonamide, Bromodomain-containing protein 9
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-11-25
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of the bromodomain of human BRD9 in complex with a triazolo-phthalazine ligand
To be Published

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