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4QME
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BU of 4qme by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphinic dipeptide analogue LL-(R,S)-hPheP[CH2]Phe
Descriptor: (2S)-3-[(S)-[(1R)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid, Aminopeptidase N, GLYCEROL, ...
Authors:Nocek, B, Vassilious, S, Mulligan, R, Berlicki, L, Mucha, A, Joachimiak, A.
Deposit date:2014-06-16
Release date:2014-10-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.
J.Med.Chem., 57, 2014
4ZEQ
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BU of 4zeq by Molmil
Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247
Descriptor: BH3-interacting domain death agonist, Bcl-2-related protein A1
Authors:Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-04-20
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of human BFL-1 in complex with tBid BH3 peptide
To Be Published
4QU1
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BU of 4qu1 by Molmil
Crystal structure of human JMJD5 jmj-c domain
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 8, ...
Authors:Liu, H.L, Wang, C, Zhang, G.Y.
Deposit date:2014-07-10
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The Histone Arginine Demethylase JMJD5
To be Published
4ZGP
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BU of 4zgp by Molmil
Structure of Cdc123 from Schizosaccharomyces pombe
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division cycle protein 123
Authors:Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E.
Deposit date:2015-04-23
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features.
Structure, 23, 2015
4QVX
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BU of 4qvx by Molmil
Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo
Descriptor: 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1
Authors:Park, C.H.
Deposit date:2014-07-16
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
ACS MED.CHEM.LETT., 5, 2014
4ZJC
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BU of 4zjc by Molmil
Structures of the human OX1 orexin receptor bound to selective and dual antagonists
Descriptor: OLEIC ACID, [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2S)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone, human OX1R fusion protein to P.abysii glycogen synthase
Authors:Yin, J, Brautigam, C.A, Shao, Z, Clark, L, Harrell, C.M, Gotter, A.L, Coleman, P.J, Renger, J.J, Rosenbaum, D.M.
Deposit date:2015-04-29
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.832 Å)
Cite:Structure and ligand-binding mechanism of the human OX1 and OX2 orexin receptors.
Nat.Struct.Mol.Biol., 23, 2016
4Z97
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BU of 4z97 by Molmil
Crystal structure of USP7 in complex with DNMT1(K1115Q)
Descriptor: DNA (cytosine-5)-methyltransferase 1, GLYCEROL, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Zhang, Z.M, Song, J.
Deposit date:2015-04-09
Release date:2016-10-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:Crystal structure of USP7 in complex with DNMT1(K1115Q)
To Be Published
4QPL
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BU of 4qpl by Molmil
Crystal structure of RNF146(RING-WWE)/UbcH5a/iso-ADPr complex
Descriptor: 2'-O-(5-O-phosphono-alpha-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate), E3 ubiquitin-protein ligase RNF146, Ubiquitin-conjugating enzyme E2 D1, ...
Authors:Wang, Z, DaRosa, P.A, Klevit, R.E, Xu, W.
Deposit date:2014-06-23
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric activation of the RNF146 ubiquitin ligase by a poly(ADP-ribosyl)ation signal.
Nature, 517, 2015
4Z9V
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BU of 4z9v by Molmil
TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL
Descriptor: BICARBONATE ION, Bcl-2-like protein 1,APOPTOSIS REGULATOR BCL-XL, SODIUM ION, ...
Authors:Cura, V, Agez, M, Thebault, S, Cavarelli, J.
Deposit date:2015-04-12
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:TCTP contains a BH3-like domain, which instead of inhibiting, activates Bcl-xL.
Sci Rep, 6, 2016
4QQV
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BU of 4qqv by Molmil
Extracellular domains of mouse IL-3 beta receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-3 receptor class 2 subunit beta
Authors:Jackson, C.J, Young, I.G, Murphy, J.M, Carr, P.D, Ewens, C.L, Dai, J, Ollis, D.L.
Deposit date:2014-06-30
Release date:2014-09-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structure of the mouse interleukin-3 beta-receptor: insights into interleukin-3 binding and receptor activation.
Biochem.J., 463, 2014
4ZBF
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BU of 4zbf by Molmil
Mcl-1 complexed with small molecules
Descriptor: (1R)-7-[3-(naphthalen-1-yloxy)propyl]-3,4-dihydro-2H-[1,4]thiazepino[2,3,4-hi]indole-6-carboxylic acid 1-oxide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Zhao, B.
Deposit date:2015-04-14
Release date:2015-04-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of tricyclic indoles that potently inhibit mcl-1 using fragment-based methods and structure-based design.
J.Med.Chem., 58, 2015
4ZR1
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BU of 4zr1 by Molmil
Hydroxylase domain of scs7p
Descriptor: Ceramide very long chain fatty acid hydroxylase SCS7, TRIDECANE, ZINC ION, ...
Authors:Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G, Membrane Protein Structural Biology Consortium (MPSBC)
Deposit date:2015-05-11
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6008 Å)
Cite:The Crystal Structure of an Integral Membrane Fatty Acid alpha-Hydroxylase.
J.Biol.Chem., 290, 2015
4Z94
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BU of 4z94 by Molmil
Actin Complex With a Chimera of Tropomodulin-1 and Leiomodin-1 Actin-Binding Site 2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Rebowski, G, Boczkowska, M, Dominguez, R.
Deposit date:2015-04-09
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How Leiomodin and Tropomodulin use a common fold for different actin assembly functions.
Nat Commun, 6, 2015
4R9T
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BU of 4r9t by Molmil
L-ficolin complexed to sulphates
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Laffly, E, Lacroix, M, Martin, L, Vassal-Stermann, E, Thielens, N, Gaboriaud, C.
Deposit date:2014-09-08
Release date:2014-11-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human ficolin-2 recognition versatility extended: An update on the binding of ficolin-2 to sulfated/phosphated carbohydrates.
Febs Lett., 588, 2014
4R9D
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BU of 4r9d by Molmil
Crystal structure of Human galectin-3 CRD in complex with lactose (pH 7.9, PEG6000)
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Su, J.Y.
Deposit date:2014-09-04
Release date:2015-03-11
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.239 Å)
Cite:The water network in galectin-3 ligand binding site guides inhibitor design.
Acta Biochim.Biophys.Sin., 47, 2015
4ZFC
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BU of 4zfc by Molmil
Crystal structure of AKR1C3 complexed with glicazide
Descriptor: Aldo-keto reductase family 1 member C3, N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhao, Y, Zhrng, X, Hu, X.
Deposit date:2015-04-21
Release date:2015-11-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
4REM
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BU of 4rem by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with delphinidin
Descriptor: 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium, GLYCEROL, UDP-glucose:anthocyanidin 3-O-glucosyltransferase
Authors:Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
Deposit date:2014-09-23
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
4R1R
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BU of 4r1r by Molmil
RIBONUCLEOTIDE REDUCTASE R1 PROTEIN WITH SUBSTRATE, GDP AND EFFECTOR DTTP FROM ESCHERICHIA COLI
Descriptor: GUANOSINE-5'-DIPHOSPHATE, RIBONUCLEOTIDE REDUCTASE R1 PROTEIN, RIBONUCLEOTIDE REDUCTASE R2 PROTEIN, ...
Authors:Eriksson, M, Eklund, H.
Deposit date:1997-07-22
Release date:1998-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Binding of allosteric effectors to ribonucleotide reductase protein R1: reduction of active-site cysteines promotes substrate binding.
Structure, 5, 1997
4R3I
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BU of 4r3i by Molmil
The crystal structure of an RNA complex
Descriptor: RNA (5'-R(*GP*GP*(6MZ)P*CP*U)-3'), UNKNOWN ATOM OR ION, YTH domain-containing protein 1
Authors:Tempel, W, Xu, C, Liu, K, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2014-08-15
Release date:2014-09-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
4REL
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BU of 4rel by Molmil
Crystal structure of UDP-glucose: anthocyanidin 3-O-glucosyltransferase in complex with kaempferol
Descriptor: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE, ACETATE ION, GLYCEROL, ...
Authors:Hiromoto, T, Honjo, E, Tamada, T, Kuroki, R.
Deposit date:2014-09-23
Release date:2015-01-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.754 Å)
Cite:Structural basis for acceptor-substrate recognition of UDP-glucose: anthocyanidin 3-O-glucosyltransferase from Clitoria ternatea
Protein Sci., 24, 2015
4ZR0
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BU of 4zr0 by Molmil
Full length scs7p (only hydroxylase domain visible)
Descriptor: Ceramide very long chain fatty acid hydroxylase SCS7, ZINC ION
Authors:Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G, Membrane Protein Structural Biology Consortium (MPSBC)
Deposit date:2015-05-11
Release date:2015-07-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:The Crystal Structure of an Integral Membrane Fatty Acid alpha-Hydroxylase.
J.Biol.Chem., 290, 2015
4ZRP
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BU of 4zrp by Molmil
TC:CD320
Descriptor: CALCIUM ION, CD320 antigen, CYANOCOBALAMIN, ...
Authors:Alam, A, Locher, K.P.
Deposit date:2015-05-12
Release date:2016-07-20
Last modified:2021-08-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of transcobalamin recognition by human CD320 receptor.
Nat Commun, 7, 2016
4ZIE
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BU of 4zie by Molmil
Crystal Structure of core/latch dimer of Bax in complex with BimBH3
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2-like protein 11
Authors:Krishna Kumar, K, Robin, A.Y, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
Deposit date:2015-04-28
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
4ZH8
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BU of 4zh8 by Molmil
Factor Xa complex with GTC000006
Descriptor: 6-chloro-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxo-2,3-dihydro-1H-pyrrol-3-yl}-N-(2-oxobutyl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X
Authors:Convery, M.A.
Deposit date:2015-04-24
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Factor Xa complex with GTC000006
To Be Published
4ZIH
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Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini
Descriptor: Apoptosis regulator BAX, Bcl-2-like protein 11
Authors:Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E.
Deposit date:2015-04-28
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015

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