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5E0R
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BU of 5e0r by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
Descriptor: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Dong, J, Caflisch, A.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
2I0W
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BU of 2i0w by Molmil
Crystal structure analysis of NP24-I, a thaumatin-like protein
Descriptor: CHLORIDE ION, Protein NP24
Authors:Chakrabarti, C, Ghosh, R.
Deposit date:2006-08-11
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure analysis of NP24-I: a thaumatin-like protein
Planta, 228, 2008
5DLX
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BU of 5dlx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide
Descriptor: Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
Authors:Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2015-09-07
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
5EN2
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BU of 5en2 by Molmil
Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Mahmutovic, S, Clark, L, Levis, S, Briggiler, A, Enria, D, Harrison, S.C, Abraham, J.
Deposit date:2015-11-09
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.821 Å)
Cite:Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses.
Cell Host Microbe, 18, 2015
2IMG
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BU of 2img by Molmil
Crystal structure of dual specificity protein phosphatase 23 from Homo sapiens in complex with ligand malate ion
Descriptor: D-MALATE, Dual specificity protein phosphatase 23
Authors:Agarwal, R, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2006-10-04
Release date:2006-10-17
Last modified:2021-02-03
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure of human dual specificity protein phosphatase 23, VHZ, enzyme-substrate/product complex.
J.Biol.Chem., 283, 2008
2II2
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BU of 2ii2 by Molmil
Crystal Structure of Alpha-11 Giardin
Descriptor: Alpha-11 giardin, SULFATE ION
Authors:Pathuri, P, Nguyen, E.T, Luecke, H.
Deposit date:2006-09-27
Release date:2007-04-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Apo and Calcium-bound Crystal Structures of Alpha-11 Giardin, an Unusual Annexin from Giardia lamblia
J.Mol.Biol., 368, 2007
2IC6
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BU of 2ic6 by Molmil
The Coiled-coil Domain (residues 1-75) Structure of the Sin Nombre Virus Nucleocapsid Protein
Descriptor: Nucleocapsid protein
Authors:Boudko, S.P, Rossmann, M.G.
Deposit date:2006-09-12
Release date:2007-02-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:The Coiled-coil Domain Structure of the Sin Nombre Virus Nucleocapsid Protein.
J.Mol.Biol., 366, 2007
5EGU
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BU of 5egu by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 3-Butyl-8-(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-7-ethyl-3,7-dihydropurine-2,6-dione
Descriptor: 1,2-ETHANEDIOL, 3-butyl-8-[(6-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
Authors:Raux, B, Rebuffet, E, Betzi, S, Priet, S, Morelli, X.
Deposit date:2015-10-27
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
5DLZ
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BU of 5dlz by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide
Descriptor: Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
Authors:Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2015-09-07
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
5F28
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BU of 5f28 by Molmil
Crystal structure of FAT domain of Focal Adhesion Kinase (FAK) bound to the transcription factor MEF2C
Descriptor: Focal adhesion kinase 1, MEF2C
Authors:Cardoso, A.C, Ambrosio, A.L.B, Dessen, A, Franchini, K.G.
Deposit date:2015-12-01
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:FAK Forms a Complex with MEF2 to Couple Biomechanical Signaling to Transcription in Cardiomyocytes.
Structure, 24, 2016
2HLW
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BU of 2hlw by Molmil
Solution Structure of the Human Ubiquitin-conjugating Enzyme Variant Uev1a
Descriptor: Ubiquitin-conjugating enzyme E2 variant 1
Authors:Hau, D.D, Lewis, M.J, Saltibus, L.F, Pastushok, L, Xiao, W, Spyracopoulos, L.
Deposit date:2006-07-10
Release date:2006-09-05
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure and interactions of the ubiquitin-conjugating enzyme variant human uev1a: implications for enzymatic synthesis of polyubiquitin chains(,).
Biochemistry, 45, 2006
2GZQ
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BU of 2gzq by Molmil
Phosphatidylethanolamine-binding protein from Plasmodium vivax
Descriptor: Phosphatidylethanolamine-binding protein
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2006-05-11
Release date:2006-05-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The structure of Plasmodium vivax phosphatidylethanolamine-binding protein suggests a functional motif containing a left-handed helix
Acta Crystallogr.,Sect.F, 63, 2007
2L0Z
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BU of 2l0z by Molmil
Solution structure of a zinc-binding domain from the Junin virus envelope glycoprotein
Descriptor: ZINC ION, glycoprotein G2
Authors:Briknarova, K, York, J, Nunberg, J.H.
Deposit date:2010-07-21
Release date:2010-11-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of a Zinc-binding Domain in the Junin Virus Envelope Glycoprotein.
J.Biol.Chem., 286, 2011
3TL3
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BU of 3tl3 by Molmil
Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans
Descriptor: SODIUM ION, Short-chain type dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-29
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TZ9
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BU of 3tz9 by Molmil
Kinase domain of cSrc in complex with RL130
Descriptor: 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src
Authors:Gruetter, C, Richters, A, Rauh, D.
Deposit date:2011-09-27
Release date:2012-10-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Overcoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
To be Published
3U5J
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BU of 3u5j by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with Alprazolam
Descriptor: 1,2-ETHANEDIOL, 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, Bromodomain-containing protein 4
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-10-11
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Benzodiazepines and benzotriazepines as protein interaction inhibitors targeting bromodomains of the BET family.
Bioorg.Med.Chem., 20, 2012
3U8R
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BU of 3u8r by Molmil
Human thrombin complexed with D-Phe-Pro-D-Arg-Ile
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B.
Deposit date:2011-10-17
Release date:2012-05-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
3TK1
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BU of 3tk1 by Molmil
Crystal structure of a MeaB and Rv1496 ortholog from Mycobacterium thermoresistible bound to GDP
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Membrane ATPase/protein kinase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-25
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Mycobacterial MeaB and MMAA-like GTPases.
J.Struct.Funct.Genom., 16, 2015
3TLP
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BU of 3tlp by Molmil
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Descriptor: NICKEL (II) ION, Protein polybromo-1
Authors:Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Krojer, T, Allerston, C.K, Latwiel, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-08-30
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3TX2
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BU of 3tx2 by Molmil
Structure of a Probable 6-phosphogluconolactonase from Mycobacterium abscessus
Descriptor: BENZOIC ACID, GLYCEROL, Probable 6-phosphogluconolactonase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-22
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3TM1
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BU of 3tm1 by Molmil
Crystal structure of mature ThnT, a pantetheine hydrolase
Descriptor: GLYCEROL, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
3U1H
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BU of 3u1h by Molmil
Crystal structure of IPMDH from the last common ancestor of Bacillus
Descriptor: 3-isopropylmalate dehydrogenase
Authors:Haaning, S, Hobbs, J.K, Monk, C.R, Arcus, V.L.
Deposit date:2011-09-29
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:On the Origin and Evolution of Thermophily: Reconstruction of Functional Precambrian Enzymes from Ancestors of Bacillus
MOL.BIOL.EVOL., 2011
3U8T
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BU of 3u8t by Molmil
Human thrombin complexed with D-Phe-Pro-D-Arg-Cys
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B.
Deposit date:2011-10-17
Release date:2012-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
3TSC
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BU of 3tsc by Molmil
Crystal structure of short chain dehydrogenase MAP_2410 from Mycobacterium paratuberculosis bound to NAD
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative oxidoreductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-12
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3TU5
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BU of 3tu5 by Molmil
Actin complex with Gelsolin Segment 1 fused to Cobl segment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin, ...
Authors:Kudryashov, D.S, Sawaya, M.R, Durer, Z.A.O.
Deposit date:2011-09-15
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural States and dynamics of the d-loop in actin.
Biophys.J., 103, 2012

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