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4QIQ
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Crystal structure of D-xylose-proton symporter
Descriptor: D-xylose-proton symporter, ZINC ION
Authors:Wisedchaisri, G, Park, M, Iadanza, M.G, Zheng, H, Gonen, T.
Deposit date:2014-06-01
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.51 Å)
Cite:Proton-coupled sugar transport in the prototypical major facilitator superfamily protein XylE.
Nat Commun, 5, 2014
5Y4D
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BU of 5y4d by Molmil
Crystal Structure of AnkB Ankyrin Repeats in Complex with AnkR/AnkB Chimeric Autoinhibition Segment
Descriptor: Ankyrin-1,Ankyrin-2,Ankyrin-2, SULFATE ION
Authors:Chen, K, Li, J, Wang, C, Wei, Z, Zhang, M.
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Autoinhibition of ankyrin-B/G membrane target bindings by intrinsically disordered segments from the tail regions.
Elife, 6, 2017
4QL3
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BU of 4ql3 by Molmil
Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Hunter, J.C, Manandhar, A, Gurbani, D, Chen, Z, Westover, K.D.
Deposit date:2014-06-10
Release date:2015-06-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.041 Å)
Cite:Biochemical and Structural Analysis of Common Cancer-Associated KRAS Mutations.
Mol Cancer Res., 13, 2015
5Y5F
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BU of 5y5f by Molmil
Structure of cytochrome P450nor in NO-bound state: damaged by low-dose (0.72 MGy) X-ray
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Tosha, T, Nomura, T, Nishida, T, Ueno, G, Murakami, H, Yamashita, K, Hirata, K, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
4QMC
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Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution
Descriptor: ACETATE ION, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
Authors:Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-06-16
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Crystal structure of complex formed between phospholipase A2 and Biotin-sulfoxide at 1.09 A Resolution
To be published
4QP6
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BU of 4qp6 by Molmil
Crystal Structure of ERK2 in complex with 5H-pyrrolo[2,3-b]pyrazine
Descriptor: 5H-pyrrolo[2,3-b]pyrazine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DYP
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BU of 5dyp by Molmil
Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Di Nardo, G, Dell'Angelo, V, Gilardi, G.
Deposit date:2015-09-25
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen.
Arch.Biochem.Biophys., 602, 2016
5Y9L
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Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one
Descriptor: 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7
Authors:Sugawara, H.
Deposit date:2017-08-25
Release date:2017-11-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
4QGD
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BU of 4qgd by Molmil
Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution
Descriptor: 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa
Authors:Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2014-05-22
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures and binding studies of the complexes of phospholipase A2 with five inhibitors
Biochim.Biophys.Acta, 1854, 2015
4QGZ
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BU of 4qgz by Molmil
X-ray structure of the adduct formed between hen egg white lysozyme and trans-dimethylamine methylamine dichlorido platinum(II)
Descriptor: Lysozyme C, bis(chloranyl)-(dimethylamino)-(methylamino)platinum
Authors:Russo Krauss, I, Merlino, A.
Deposit date:2014-05-26
Release date:2014-07-30
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Interactions between Anticancer trans-Platinum Compounds and Proteins: Crystal Structures and ESI-MS Spectra of Two Protein Adducts of trans-(Dimethylamino)(methylamino)dichloridoplatinum(II).
Inorg.Chem., 53, 2014
4QMQ
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MST3 in complex with CP-673451
Descriptor: 1,2-ETHANEDIOL, 1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine, DI(HYDROXYETHYL)ETHER, ...
Authors:Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2014-06-16
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.769 Å)
Cite:Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QMY
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MST3 IN COMPLEX WITH STAUROSPORINE
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE 24, ...
Authors:Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2014-06-16
Release date:2015-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.883 Å)
Cite:Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4QN6
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BU of 4qn6 by Molmil
Crystal structure of Neuraminidase N6 complexed with Laninamivir
Descriptor: 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, Neuraminidase, ...
Authors:Sun, X, Li, Q, Wu, Y, Liu, Y, Qi, J, Vavricka, C.J, Gao, G.F.
Deposit date:2014-06-17
Release date:2014-07-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Structure of influenza virus N7: the last piece of the neuraminidase "jigsaw" puzzle.
J.Virol., 88, 2014
5X2T
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BU of 5x2t by Molmil
Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 4 mM bezafibrate pH 7.2.
Descriptor: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ohki, M, Park, S.-Y.
Deposit date:2017-02-02
Release date:2017-09-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Direct observation of conformational population shifts in crystalline human hemoglobin.
J. Biol. Chem., 292, 2017
4QKJ
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BU of 4qkj by Molmil
Glycosylated form of human LLT1, a ligand for NKR-P1, in this structure forming hexamers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D
Authors:Skalova, T, Blaha, J, Duskova, J, Koval, T, Stransky, J, Hasek, J, Vanek, O, Dohnalek, J.
Deposit date:2014-06-06
Release date:2015-03-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states
Acta Crystallogr.,Sect.D, 71, 2015
4RZK
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BU of 4rzk by Molmil
Crystal structure of Sulfolobus solfataricus Hsp20.1 ACD
Descriptor: Small heat shock protein hsp20 family
Authors:Liang, L, Yun, C.H.
Deposit date:2014-12-22
Release date:2015-12-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.677 Å)
Cite:Crystal structure and function of an unusual dimeric Hsp20.1 provide insight into the thermal protection mechanism of small heat shock proteins.
Biochem.Biophys.Res.Commun., 2015
4S18
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BU of 4s18 by Molmil
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and oxaliplatin
Descriptor: CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), Ribonuclease pancreatic
Authors:Merlino, A.
Deposit date:2015-01-09
Release date:2015-11-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Interactions of carboplatin and oxaliplatin with proteins: Insights from X-ray structures and mass spectrometry studies of their ribonuclease A adducts.
J.Inorg.Biochem., 153, 2015
4TKH
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BU of 4tkh by Molmil
The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid
Descriptor: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-26
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TSA
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BU of 4tsa by Molmil
Structure of a lysozyme FAb complex
Descriptor: FAb Heavy Chain, FAb Light Chain, Lysozyme C
Authors:Wensley, B.
Deposit date:2014-06-18
Release date:2015-07-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of a lysozyme FAb complex
To Be Published
4TKJ
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BU of 4tkj by Molmil
The 0.87 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with palmitic acid
Descriptor: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, Fatty acid-binding protein, heart, ...
Authors:Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M.
Deposit date:2014-05-26
Release date:2015-01-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein
Angew.Chem.Int.Ed.Engl., 54, 2015
4TLJ
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BU of 4tlj by Molmil
Ultra-high resolution crystal structure of caprine Beta-lactoglobulin
Descriptor: 1,4-BUTANEDIOL, Beta-lactoglobulin
Authors:Crowther, J.M, Jameson, G.B, Suzuki, H, Dobson, R.C.J.
Deposit date:2014-05-30
Release date:2014-06-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Ultra-high resolution crystal structure of recombinant caprine beta-lactoglobulin.
Febs Lett., 588, 2014
4TMT
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BU of 4tmt by Molmil
Translation initiation factor eIF5B (517-858) mutant D533A from C. thermophilum, bound to GTPgammaS
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
Authors:Kuhle, B, Ficner, R.
Deposit date:2014-06-02
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
4RO9
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2.0A resolution structure of SRPN2 (S358E) from Anopheles gambiae
Descriptor: GLYCEROL, Serpin 2
Authors:Lovell, S, Battaile, K.P, Zhang, X, Meekins, D.A, An, C, Michel, K.
Deposit date:2014-10-28
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Inhibitory Effects of Hinge Loop Mutagenesis in Serpin-2 from the Malaria Vector Anopheles gambiae.
J.Biol.Chem., 290, 2015
4RSG
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BU of 4rsg by Molmil
Neutron crystal structure of Ras bound to the GTP analogue GppNHp
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Knihtila, R.R, Holzapfel, G, Weiss, K.L, Meilleur, F, Mattos, C.
Deposit date:2014-11-07
Release date:2015-11-04
Last modified:2024-02-28
Method:NEUTRON DIFFRACTION (1.907 Å)
Cite:Neutron Crystal Structure of RAS GTPase Puts in Question the Protonation State of the GTP gamma-Phosphate.
J.Biol.Chem., 290, 2015
5X3Z
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BU of 5x3z by Molmil
Solution structure of musashi1 RBD2 in complex with RNA
Descriptor: RNA (5'-R(*GP*UP*AP*GP*U)-3'), RNA-binding protein Musashi homolog 1
Authors:Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M.
Deposit date:2017-02-09
Release date:2017-12-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017

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