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1ZWH
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BU of 1zwh by Molmil
Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine
Descriptor: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, ATP-dependent molecular chaperone HSP82
Authors:Immormino, R.M, Blagg, B.S, Gewirth, D.T.
Deposit date:2005-06-03
Release date:2006-06-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design
To be Published
8FEF
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BU of 8fef by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis (Map0)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FED
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BU of 8fed by Molmil
Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEE
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BU of 8fee by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
3PFK
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BU of 3pfk by Molmil
PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL
Descriptor: PHOSPHATE ION, PHOSPHOFRUCTOKINASE
Authors:Evans, P.R, Hudson, P.J.
Deposit date:1988-01-25
Release date:1989-01-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Phosphofructokinase: structure and control.
Philos.Trans.R.Soc.London,Ser.B, 293, 1981
1LY2
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BU of 1ly2 by Molmil
Crystal structure of unliganded human CD21 SCR1-SCR2 (Complement receptor type 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, complement receptor type 2
Authors:Prota, A.E, Sage, D.R, Stehle, T, Fingeroth, J.D.
Deposit date:2002-06-06
Release date:2002-07-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of human CD21: Implications for Epstein-Barr virus and C3d binding.
Proc.Natl.Acad.Sci.USA, 99, 2002
7EQF
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BU of 7eqf by Molmil
Crystal Structure of a Transcription Factor in complex with Ligand
Descriptor: (6~{R})-3-methyl-8-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{R},5~{R},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-[(2~{S},4~{R},5~{S},6~{R})-6-methyl-5-[(2~{S},4~{S},5~{S},6~{R})-6-methyl-4-[(2~{S},5~{S},6~{S})-6-methyl-5-oxidanyl-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-1,6,11-tris(oxidanyl)-5,6-dihydrobenzo[a]anthracene-7,12-dione, TetR/AcrR family transcriptional regulator
Authors:Uehara, S, Tsugita, A, Matsui, T, Yokoyama, T, Ostash, I, Ostash, B, Tanaka, Y.
Deposit date:2021-05-01
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:The carbohydrate tail of landomycin A is responsible for its interaction with the repressor protein LanK.
Febs J., 289, 2022
1HSR
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BU of 1hsr by Molmil
BINDING MODE OF BENZHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Fukuyama, K, Itakura, H.
Deposit date:1997-07-01
Release date:1998-07-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Binding mode of benzhydroxamic acid to Arthromyces ramosus peroxidase shown by X-ray crystallographic analysis of the complex at 1.6 A resolution.
FEBS Lett., 412, 1997
8OG5
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BU of 8og5 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1
Descriptor: 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG8
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BU of 8og8 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 3
Descriptor: 1,2-ETHANEDIOL, 5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG6
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BU of 8og6 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 1
Descriptor: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, ACETATE ION, DDB1- and CUL4-associated factor 1
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OGC
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BU of 8ogc by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 11
Descriptor: 1,2-ETHANEDIOL, 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclopentyl]quinazolin-7-yl]piperazin-1-yl]ethanone, ACETATE ION, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OG9
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BU of 8og9 by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 4
Descriptor: 5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline, DDB1- and CUL4-associated factor 1
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.945 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
8OGB
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BU of 8ogb by Molmil
Crystal structure of human DCAF1 WD40 repeats (Q1250L) in complex with compound 8
Descriptor: 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, DIMETHYL SULFOXIDE, ...
Authors:Schroeder, M, Vulpetti, A, Renatus, M.
Deposit date:2023-03-19
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of New Binders for DCAF1, an Emerging Ligase Target in the Targeted Protein Degradation Field.
Acs Med.Chem.Lett., 14, 2023
1HAK
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BU of 1hak by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN PLACENTAL ANNEXIN V COMPLEXED WITH K-201 AS A CALCIUM CHANNEL ACTIVITY INHIBITOR
Descriptor: 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE, ANNEXIN V
Authors:Ago, H, Inagaki, E, Miyano, M.
Deposit date:1997-12-10
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of annexin V with its ligand K-201 as a calcium channel activity inhibitor.
J.Mol.Biol., 274, 1997
3R7D
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BU of 3r7d by Molmil
Crystal Structure of Unliganded Aspartate Transcarbamoylase from Bacillus subtilis
Descriptor: Aspartate carbamoyltransferase, PHOSPHATE ION
Authors:Puleo, D.E, Harris, K.M, Cockrell, G.M, Kantrowitz, E.R.
Deposit date:2011-03-22
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Crystallographic Snapshots of the Complete Catalytic Cycle of the Unregulated Aspartate Transcarbamoylase from Bacillus subtilis.
J.Mol.Biol., 411, 2011
3A7N
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BU of 3a7n by Molmil
Crystal structure of uracil-DNA glycosylase from Mycobacterium tuberculosis
Descriptor: CITRATE ANION, Uracil-DNA glycosylase
Authors:Kaushal, P.S, Talawar, R.K, Varshney, U, Vijayan, M.
Deposit date:2009-09-29
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands
Acta Crystallogr.,Sect.F, 66, 2010
2ZXZ
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BU of 2zxz by Molmil
Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
Descriptor: 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES)
Deposit date:2009-01-09
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009
8QHC
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BU of 8qhc by Molmil
Cryo-EM structure of SidH from Legionella pneumophila in complex with LubX
Descriptor: E3 ubiquitin--protein ligase, Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, R, Adams, M, Bhogaraju, S.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023
3M14
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BU of 3m14 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
Deposit date:2010-03-04
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
7CZF
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BU of 7czf by Molmil
Crystal structure of Kaposi Sarcoma associated herpesvirus (KSHV ) gHgL in complex with the ligand binding domian (LBD) of EphA2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Su, C, Wu, L.L, Song, H, Chai, Y, Qi, J.X, Yan, J.H, Gao, G.F.
Deposit date:2020-09-08
Release date:2020-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Molecular basis of EphA2 recognition by gHgL from gammaherpesviruses.
Nat Commun, 11, 2020
5W9D
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BU of 5w9d by Molmil
Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen
Descriptor: Endoxifen, Estrogen receptor
Authors:Fanning, S.W, Greene, G.L.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6464 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
3M04
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BU of 3m04 by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U.
Deposit date:2010-03-02
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural investigation and inhibitor studies on Carbonic Anhydrase II
To be Published
3M2Y
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BU of 3m2y by Molmil
Carbonic Anhydrase II in complex with novel sulfonamide inhibitor
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-08
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Structural investigation and inhibitor stuies on Carbonic Anhydrase II
To be Published
2ZY0
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BU of 2zy0 by Molmil
Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide
Descriptor: 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-1,3-benzodisilol-5-yl)-1,3-dioxolan-2-yl]benzoic acid, GRIP1 from Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Sato, Y, Antony, P, Rochel, N, Moras, D, Structural Genomics Consortium for Research on Gene Expression (SGCGES)
Deposit date:2009-01-09
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology
Chemmedchem, 4, 2009

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