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4Y06
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BU of 4y06 by Molmil
Crystal structure of the DAP BII (G675R) dipeptide complex
Descriptor: Dipeptidyl aminopeptidase BII, GLUTAMIC ACID, GLYCEROL, ...
Authors:Sakamoto, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N.
Deposit date:2015-02-05
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity.
Sci Rep, 5, 2015
5A4U
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BU of 5a4u by Molmil
AtGSTF2 from Arabidopsis thaliana in complex with indole-3-aldehyde
Descriptor: 1H-INDOLE-3-CARBALDEHYDE, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2
Authors:Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G.
Deposit date:2015-06-15
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
5FYG
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BU of 5fyg by Molmil
Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid
Descriptor: 12-HYDROXYDODECANOIC ACID, CYTOCHROME P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Danesh-Azari, H.-R, Spandolf, C, Hoffman, S.M, Weissenborn, M, Hauer, B, Grogan, G.
Deposit date:2016-03-07
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-Guided Redesign of CYP153AM.aqfor the Improved Terminal Hydroxylation of Fatty Acids
Chemcatchem, 2016
4Y5Y
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BU of 4y5y by Molmil
Diabody 330 complex with EpoR
Descriptor: Erythropoietin receptor, GLYCEROL, diabody 330 VH domain, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
6C5Y
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BU of 6c5y by Molmil
Crystal structure of thaumatin from microcrystals
Descriptor: Thaumatin-1
Authors:Guo, G, Fuchs, M, Shi, W, Skinner, J, Berman, E, Ogata, C.M, Hendrickson, W.A, McSweeney, S, Liu, Q.
Deposit date:2018-01-17
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Sample manipulation and data assembly for robust microcrystal synchrotron crystallography.
IUCrJ, 5, 2018
6HGE
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BU of 6hge by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-I in the uncleaved S-conformation
Descriptor: Alpha-1-antichymotrypsin
Authors:Gardill, B.R, Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
5G1V
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BU of 5g1v by Molmil
Linalool Dehydratase Isomerase: Selenomethionine Derivative
Descriptor: LINALOOL DEHYDRATASE ISOMERASE
Authors:Chambers, S, Hau, A, Man, H, Omar, M, Turkenburg, J.P, Grogan, G.
Deposit date:2016-03-30
Release date:2017-01-11
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural and functional insights into asymmetric enzymatic dehydration of alkenols.
Nat. Chem. Biol., 13, 2017
6C23
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BU of 6c23 by Molmil
Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Compact Active State
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ...
Authors:Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E.
Deposit date:2018-01-05
Release date:2018-01-24
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of human PRC2 with its cofactors AEBP2 and JARID2.
Science, 359, 2018
6C24
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BU of 6c24 by Molmil
Cryo-EM structure of PRC2 bound to cofactors AEBP2 and JARID2 in the Extended Active State
Descriptor: Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, JARID2-substrate, ...
Authors:Kasinath, V, Faini, M, Poepsel, S, Reif, D, Feng, A, Stjepanovic, G, Aebersold, R, Nogales, E.
Deposit date:2018-01-06
Release date:2018-01-24
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structures of human PRC2 with its cofactors AEBP2 and JARID2.
Science, 359, 2018
4LM3
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BU of 4lm3 by Molmil
Crystal structure of PDE10A2 with fragment ZT464
Descriptor: 1,2-ETHANEDIOL, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone, NICKEL (II) ION, ...
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4LM1
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BU of 4lm1 by Molmil
Crystal structure of PDE10A2 with fragment ZT450
Descriptor: 5-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
4Y5X
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BU of 4y5x by Molmil
Diabody 305 complex with EpoR
Descriptor: CITRATE ANION, DI(HYDROXYETHYL)ETHER, Erythropoietin receptor, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-03-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
4LLX
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BU of 4llx by Molmil
Crystal structure of PDE10A2 with fragment ZT434
Descriptor: 4,6-dimethylpyrimidin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
6HGJ
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BU of 6hgj by Molmil
Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with aldosterone
Descriptor: 1,2-ETHANEDIOL, ALDOSTERONE, Alpha-1-antichymotrypsin
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2018-08-23
Release date:2019-05-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.825 Å)
Cite:NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy.
J.Struct.Biol., 207, 2019
4LM2
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BU of 4lm2 by Molmil
Crystal structure of PDE10A2 with fragment ZT462
Descriptor: 2,3-dihydro-1,4-benzodioxin-6-ylmethanol, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-07-09
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Optimization of PDE10A Inhibitors Using Fragment-Based Screening by Nanocalorimetry and X-ray Crystallography.
J Biomol Screen, 19, 2014
8OF7
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BU of 8of7 by Molmil
Cyc15 Diels Alderase
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Back, C.R, Barringer, R.W.L, Zorn, K, Manzo-Ruiz, M, Race, P.R.
Deposit date:2023-03-14
Release date:2023-06-21
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases.
Chembiochem, 24, 2023
6HYG
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BU of 6hyg by Molmil
Heteromeric tandem IgG4/IgG1 Fc
Descriptor: IgHG1 and IgHG4 hybrid, ZINC ION
Authors:Casaletto, J.B, Geddie, M.L, Abu-Yousif, A.O, Masson, K, Fulgham, A, Boudot, A, Maiwald, T, Kearns, J.D, Kohli, N, Su, S, Razlog, M, Raue, A, Kalra, A, Hakansson, M, Logan, D.T, Welin, M, Chattopadhyay, S, Harms, B.D, Nielsen, U.B, Schoeberl, B, Lugovskoy, A.A, MacBeath, G.
Deposit date:2018-10-21
Release date:2019-03-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:MM-131, a bispecific anti-Met/EpCAM mAb, inhibits HGF-dependent and HGF-independent Met signaling through concurrent binding to EpCAM.
Proc.Natl.Acad.Sci.USA, 116, 2019
6BJC
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BU of 6bjc by Molmil
TPX2_mini decorated GMPCPP-microtubule
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Zhang, R, Nogales, E.
Deposit date:2017-11-05
Release date:2017-11-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insight into TPX2-stimulated microtubule assembly.
Elife, 6, 2017
5G6R
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BU of 5g6r by Molmil
Imine reductase from Aspergillus oryzae
Descriptor: IMINE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Man, H, Aleku, G, Turner, N.J, Grogan, G.
Deposit date:2016-06-23
Release date:2017-05-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A reductive aminase from Aspergillus oryzae.
Nat Chem, 9, 2017
5A7J
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BU of 5a7j by Molmil
Crystal structure of INPP5B in complex with benzene 1,2,4,5- tetrakisphosphate
Descriptor: (2,4,5-triphosphonooxyphenyl) dihydrogen phosphate, GLYCEROL, SULFATE ION, ...
Authors:Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Nordlund, P.
Deposit date:2015-07-06
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
4Y5V
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BU of 4y5v by Molmil
Diabody 305 complex with EpoR
Descriptor: DI(HYDROXYETHYL)ETHER, Diabody 305 VL domain, Erythropoietin receptor, ...
Authors:Moraga, I, Guo, F, Ozkan, E, Jude, K.M, Garcia, K.C.
Deposit date:2015-02-12
Release date:2015-04-29
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Tuning Cytokine Receptor Signaling by Re-orienting Dimer Geometry with Surrogate Ligands.
Cell, 160, 2015
4YCN
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BU of 4ycn by Molmil
Crystal structure of the calcium pump with bound marine macrolide BLLB
Descriptor: (4S,5E,8S,9E,11S,13E,15E,18R)-4-hydroxy-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]oxacyclooctadeca-5,9,13,15-tetraen-2-one, PHOSPHATIDYLETHANOLAMINE, SODIUM ION, ...
Authors:Morita, M, Ogawa, H, Ohno, O, Yamori, T, Suenaga, K, Toyoshima, C.
Deposit date:2015-02-20
Release date:2016-01-13
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Biselyngbyasides, cytotoxic marine macrolides, are novel and potent inhibitors of the Ca(2+) pumps with a unique mode of binding
Febs Lett., 589, 2015
5EHB
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BU of 5ehb by Molmil
A de novo designed hexameric coiled-coil peptide with iodotyrosine
Descriptor: pHiosYI
Authors:Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I.
Deposit date:2015-10-28
Release date:2016-06-15
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch.
Structure, 24, 2016
4YM6
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BU of 4ym6 by Molmil
Crystal structure of the human nucleosome containing 6-4PP (outside)
Descriptor: 145-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Osakabe, A, Tachiwana, H, Kagawa, W, Horikoshi, N, Matsumoto, S, Hasegawa, M, Matsumoto, N, Toga, T, Yamamoto, J, Hanaoka, F, Thoma, N.H, Sugasawa, K, Iwai, S, Kurumizaka, H.
Deposit date:2015-03-06
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome
Sci Rep, 5, 2015
5CFJ
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BU of 5cfj by Molmil
Structural and functional attributes of malaria parasite Ap4A hydrolase
Descriptor: BIS(5'-nucleosyl)-tetraphosphatase (Diadenosine tetraphosphatase), putative, DI(HYDROXYETHYL)ETHER, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2015-07-08
Release date:2016-02-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural and functional attributes of malaria parasite diadenosine tetraphosphate hydrolase
Sci Rep, 6, 2016

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