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5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
Descriptor: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2016-10-26
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
2CBQ
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BU of 2cbq by Molmil
Crystal structure of the neocarzinostatin 1Tes15 mutant bound to testosterone hemisuccinate.
Descriptor: NEOCARZINOSTATIN, SULFATE ION, TESTOSTERONE HEMISUCCINATE
Authors:Drevelle, A, Graille, M, Heyd, B, Sorel, I, Ulryck, N, Pecorari, F, Desmadril, M, Van Tilbeurgh, H, Minard, P.
Deposit date:2006-01-06
Release date:2006-03-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of in Vitro Evolved Binding Sites on Neocarzinostatin Scaffold Reveal Unanticipated Evolutionary Pathways.
J.Mol.Biol., 358, 2006
1B0W
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BU of 1b0w by Molmil
Structural comparison of amyloidogenic light chain dimer in two crystal forms with nonamyloidogenic counterparts
Descriptor: BENCE-JONES KAPPA I PROTEIN BRE
Authors:Schormann, N, Benson, M.D.
Deposit date:1998-11-13
Release date:1998-11-16
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tertiary structures of amyloidogenic and non-amyloidogenic transthyretin variants: new model for amyloid fibril formation
Amyloid, 5, 1998
3FN1
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BU of 3fn1 by Molmil
E2-RING expansion of the NEDD8 cascade confers specificity to cullin modification.
Descriptor: NEDD8-activating enzyme E1 catalytic subunit, NEDD8-conjugating enzyme UBE2F
Authors:Huang, D.T, Ayrault, O, Hunt, H.W, Taherbhoy, A.M, Duda, D.M, Scott, D.C, Borg, L.A, Neale, G, Murray, P.J, Roussel, M.F, Schulman, B.A.
Deposit date:2008-12-22
Release date:2009-03-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:E2-RING expansion of the NEDD8 cascade confers specificity to cullin modification
Mol.Cell, 33, 2009
2VDK
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BU of 2vdk by Molmil
Re-refinement of Integrin AlphaIIbBeta3 Headpiece
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
Authors:Springer, T.A, Zhu, J, Xiao, T.
Deposit date:2007-10-10
Release date:2008-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3.
J.Cell Biol., 182, 2008
7E2R
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BU of 7e2r by Molmil
The ligand-free structure of Arabidopsis thaliana GUN4
Descriptor: Tetrapyrrole-binding protein, chloroplastic
Authors:Liu, L, Hu, J.
Deposit date:2021-02-07
Release date:2021-08-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
2GRZ
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BU of 2grz by Molmil
5ns Photoproduct of the M37V mutant of Scapharca HbI
Descriptor: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E.
Deposit date:2006-04-25
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1TVK
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BU of 1tvk by Molmil
The binding mode of epothilone A on a,b-tubulin by electron crystallography
Descriptor: EPOTHILONE A, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Nettles, J.H, Li, H, Cornett, B, Krahn, J.M, Snyder, J.P, Downing, K.H.
Deposit date:2004-06-29
Release date:2004-09-14
Last modified:2023-08-23
Method:ELECTRON CRYSTALLOGRAPHY (2.89 Å)
Cite:The binding mode of epothilone A on alpha,beta-tubulin by electron crystallography
Science, 305, 2004
6CCR
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BU of 6ccr by Molmil
Selenomethionyl derivative of a GID4 fragment
Descriptor: Glucose-induced degradation protein 4 homolog, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-07
Release date:2018-04-04
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
4JVE
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BU of 4jve by Molmil
Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
Descriptor: (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2
Authors:Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
Deposit date:2013-03-25
Release date:2013-05-01
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
7YON
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BU of 7yon by Molmil
Complex structure of Neuropeptide Y Y2 receptor in complex with PYY(3-36) and Gi
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Kang, H, Park, C, Kim, J, Choi, H.-J.
Deposit date:2022-08-01
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural basis for Y2 receptor-mediated neuropeptide Y and peptide YY signaling.
Structure, 31, 2023
7YOO
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BU of 7yoo by Molmil
Complex structure of Neuropeptide Y Y2 receptor in complex with NPY and Gi
Descriptor: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Kang, H, Park, C, Kim, J, Choi, H.-J.
Deposit date:2022-08-01
Release date:2023-03-22
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for Y2 receptor-mediated neuropeptide Y and peptide YY signaling.
Structure, 31, 2023
1BCJ
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BU of 1bcj by Molmil
MANNOSE-BINDING PROTEIN-A MUTANT (QPDWGHV) COMPLEXED WITH N-ACETYL-D-GALACTOSAMINE
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Kolatkar, A.R, Weis, W.I.
Deposit date:1998-04-30
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of N-acetylgalactosamine binding to a C-type animal lectin carbohydrate-recognition domain.
J.Biol.Chem., 273, 1998
5E6M
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BU of 5e6m by Molmil
Crystal structure of human wild type GlyRS bound with tRNAGly
Descriptor: GLYCYL-ADENOSINE-5'-PHOSPHATE, Glycine--tRNA ligase, NICKEL (II) ION, ...
Authors:Xie, W, Qin, X, Deng, X, Chen, L, Liu, Y.
Deposit date:2015-10-10
Release date:2016-07-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.927 Å)
Cite:Crystal Structure of the Wild-Type Human GlyRS Bound with tRNA(Gly) in a Productive Conformation
J.Mol.Biol., 428, 2016
6CD9
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BU of 6cd9 by Molmil
GID4 in complex with a peptide
Descriptor: Glucose-induced degradation protein 4 homolog, Tetrapeptide PSRW, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-02-08
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of GID4-mediated recognition of degrons for the Pro/N-end rule pathway.
Nat. Chem. Biol., 14, 2018
2AGC
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BU of 2agc by Molmil
Crystal Structure of mouse GM2- activator Protein
Descriptor: Ganglioside GM2 activator, LAURIC ACID, MYRISTIC ACID
Authors:Wright, C.S, Mi, L.Z, Lee, S, Rastinejad, F.
Deposit date:2005-07-26
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure Analysis of Phosphatidylcholine-GM2-Activator Product Complexes: Evidence for Hydrolase Activity.
Biochemistry, 44, 2005
2VDL
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BU of 2vdl by Molmil
Re-refinement of Integrin AlphaIIbBeta3 Headpiece
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
Authors:Springer, T.A, Zhu, J, Xiao, T.
Deposit date:2007-10-10
Release date:2008-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3.
J.Cell Biol., 182, 2008
2VDM
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BU of 2vdm by Molmil
Re-refinement of Integrin AlphaIIbBeta3 Headpiece Bound to Antagonist Tirofiban
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Springer, T.A, Zhu, J, Xiao, T.
Deposit date:2007-10-10
Release date:2008-09-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Basis for Distinctive Recognition of Fibrinogen Gammac Peptide by the Platelet Integrin Alphaiibbeta3.
J.Cell Biol., 182, 2008
7YVC
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BU of 7yvc by Molmil
Aplysia californica FaNaC in apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Chen, Q.F, Liu, F.L, Dang, Y, Feng, H, Zhang, Z, Ye, S.
Deposit date:2022-08-19
Release date:2023-08-09
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure and mechanism of a neuropeptide-activated channel in the ENaC/DEG superfamily.
Nat.Chem.Biol., 19, 2023
3RLL
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BU of 3rll by Molmil
Crystal structure of the T877A androgen receptor ligand binding domain in complex with (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanonaphthalen-1-yloxy)-2-hydroxy-2-methylpropanamide
Descriptor: (2S)-3-[(4-cyanonaphthalen-1-yl)oxy]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
Authors:Bohl, C.E, Duke, C.B, Jones, A, Dalton, J.T, Miller, D.D.
Deposit date:2011-04-19
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.
J.Med.Chem., 54, 2011
4BW4
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BU of 4bw4 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
3TLI
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BU of 3tli by Molmil
THERMOLYSIN (10% ISOPROPANOL SOAKED CRYSTALS)
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
Authors:English, A.C, Done, S.H, Groom, C.R, Hubbard, R.E.
Deposit date:1998-10-28
Release date:2000-02-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol.
Proteins, 37, 1999
4MR6
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BU of 4mr6 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208)
Descriptor: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ...
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4GPA
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BU of 4gpa by Molmil
High resolution structure of the GluA4 N-terminal domain (NTD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 4
Authors:Sukumaran, M, Greger, I.H.
Deposit date:2012-08-20
Release date:2012-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Comparative Dynamics of NMDA- and AMPA-Glutamate Receptor N-Terminal Domains.
Structure, 20, 2012
4C82
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BU of 4c82 by Molmil
IspF (Plasmodium falciparum) unliganded structure
Descriptor: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, SULFATE ION, ZINC ION
Authors:O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N.
Deposit date:2013-09-27
Release date:2014-01-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment.
Bmc Struct.Biol., 14, 2014

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