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6NHK
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BU of 6nhk by Molmil
Mortalin nucleotide binding domain in the ADP-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Page, R.C, Moseng, M.A, Nix, J.C.
Deposit date:2018-12-23
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.777 Å)
Cite:Biophysical Consequences of EVEN-PLUS Syndrome Mutations for the Function of Mortalin.
J.Phys.Chem.B, 123, 2019
6ND9
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BU of 6nd9 by Molmil
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH CALCIUM
Descriptor: AMMONIUM ION, CALCIUM ION, CHLORIDE ION, ...
Authors:Stetefeld, J, McDougall, M.D, Loewen, P.C.
Deposit date:2018-12-13
Release date:2019-01-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN AND CALCIUM
To be published
4NE1
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BU of 4ne1 by Molmil
Human MHF1 MHF2 DNA complexes
Descriptor: Centromere protein S, Centromere protein X, DNA (26-MER)
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2014-01-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (6.499 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
4NFF
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BU of 4nff by Molmil
Human kallikrein-related peptidase 2 in complex with PPACK
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2
Authors:Skala, W, Brandstetter, H, Magdolen, V, Goettig, P.
Deposit date:2013-10-31
Release date:2014-10-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
6NDR
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BU of 6ndr by Molmil
Crystal structure of dTDP-6-deoxy-D-glucose-3,5-epimerase RmlC from Legionella pneumophila Philadelphia 1 in complex with dTDP-4-KETO-L-RHAMNOSE
Descriptor: 1,2-ETHANEDIOL, DTDP-4-KETO-L-RHAMNOSE, SULFATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-14
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of dTDP-6-deoxy-D-glucose-3,5-epimerase RmlC from Legionella pneumophila Philadelphia 1 in complex with dTDP-4-KETO-L-RHAMNOSE
to be published
6NKP
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BU of 6nkp by Molmil
EphA2 LBD in complex with bA-WLA-YSKbio peptide
Descriptor: BIOTIN, Ephrin type-A receptor 2, bA-WLA-YSKbio peptide
Authors:Lechtenberg, B.C, Pasquale, E.B.
Deposit date:2019-01-07
Release date:2019-05-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.033 Å)
Cite:Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling.
J.Biol.Chem., 294, 2019
4NIP
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BU of 4nip by Molmil
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
Descriptor: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
6NFV
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BU of 6nfv by Molmil
Structure of the KcsA-G77C mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter.
Descriptor: (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, NONAN-1-OL, POTASSIUM ION, ...
Authors:Tilegenova, C, Cortes, D.M, Jahovic, N, Hardy, E, Parameswaran, H, Guan, L, Cuello, L.G.
Deposit date:2018-12-20
Release date:2019-08-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure, function, and ion-binding properties of a K+channel stabilized in the 2,4-ion-bound configuration.
Proc.Natl.Acad.Sci.USA, 116, 2019
6DO4
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BU of 6do4 by Molmil
KLHDC2 ubiquitin ligase in complex with SelS C-end degron
Descriptor: Kelch domain-containing protein 2, SELS C-END DEGRON
Authors:Rusnac, D.V, Lin, H.C, Yen, H.C.S, Zheng, N.
Deposit date:2018-06-08
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Recognition of the Diglycine C-End Degron by CRL2KLHDC2Ubiquitin Ligase.
Mol. Cell, 72, 2018
6NTI
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BU of 6nti by Molmil
Neutron/X-ray crystal structure of AAC-VIa bound to kanamycin b
Descriptor: (1R,2S,3S,4R,6S)-4,6-DIAMINO-3-[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION
Authors:Cuneo, M.J, Kumar, P.
Deposit date:2019-01-29
Release date:2019-09-25
Last modified:2024-04-03
Method:NEUTRON DIFFRACTION (2.3 Å), X-RAY DIFFRACTION
Cite:Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad.
Angew.Chem.Int.Ed.Engl., 58, 2019
6NBO
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BU of 6nbo by Molmil
Crystal structure of N-isopropylammelide isopropylaminohydrolase from Burkholderia multivorans ATCC 17616
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-isopropylammelide isopropylaminohydrolase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-07
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of N-isopropylammelide isopropylaminohydrolase from Burkholderia multivorans ATCC 17616
to be published
4NLV
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BU of 4nlv by Molmil
Poliovirus Polymerase - G289A/C290F Loop Mutant
Descriptor: ACETIC ACID, PENTAETHYLENE GLYCOL, RNA-directed RNA polymerase 3D-POL, ...
Authors:Sholders, A.J, Peersen, O.B.
Deposit date:2013-11-14
Release date:2014-01-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Distinct conformations of a putative translocation element in poliovirus polymerase.
J.Mol.Biol., 426, 2014
6NCI
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BU of 6nci by Molmil
Crystal structure of CDP-Chase: Vector data collection
Descriptor: D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCS
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BU of 6ncs by Molmil
Crystal structure of N-acetylneuraminic acid (Sialic acid) synthetase from Leptospira borgpetersenii serovar Hardjo-bovis in complex with citrate
Descriptor: ACETATE ION, CITRIC ACID, D(-)-TARTARIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-12
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of N-acetylneuraminic acid (Sialic acid) synthetase from Leptospira borgpetersenii serovar Hardjo-bovis in complex with citrate
to be published
4NNT
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BU of 4nnt by Molmil
Crystal structure of FABP4 in complex with novel inhibitor
Descriptor: 2,4,6-tri(propan-2-yl)benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Liu, Q.F, Chen, T.T, Xu, Y.C.
Deposit date:2013-11-19
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The complex structure of FABP4 with novel inhibitors
To be Published
4NCC
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BU of 4ncc by Molmil
Neutralizing antibody to murine norovirus
Descriptor: Fab fragment heavy, Fab fragment light
Authors:Smith, T, Li, M.
Deposit date:2013-10-24
Release date:2014-02-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
6NDE
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BU of 6nde by Molmil
RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH PRASEDYMIUM
Descriptor: AMMONIUM ION, CHLORIDE ION, Integrin alpha-2, ...
Authors:Stetefeld, J, McDougall, M.D, Loewen, P.C.
Deposit date:2018-12-13
Release date:2019-01-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:RHODOCETIN IN COMPLEX WITH THE INTEGRIN ALPHA2-A DOMAIN WITH PRASEDYMIUM BOUND
To be published
6NE2
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BU of 6ne2 by Molmil
Designed repeat protein in complex with Fz7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-15
Release date:2019-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
6DPX
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BU of 6dpx by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Descriptor: (3-{[(3-chloro-2-hydroxyphenyl)sulfonyl]amino}phenyl)acetic acid, Beta-lactamase
Authors:Singh, I.
Deposit date:2018-06-09
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ultra-large library docking for discovering new chemotypes.
Nature, 566, 2019
6NE9
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BU of 6ne9 by Molmil
Bacteroides intestinalis acetyl xylan esterase (BACINT_01039)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Koropatkin, N.M, Pereira, G.V, Cann, I.
Deposit date:2018-12-17
Release date:2019-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.738 Å)
Cite:Degradation of complex arabinoxylans by human colonic Bacteroidetes
Nat Commun, 2021
4NDS
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BU of 4nds by Molmil
Crystal structure of L. decastes alpha-galactosyl-binding lectin
Descriptor: Alpha-galactosyl-binding lectin, SODIUM ION
Authors:Van Eerde, A, Grahn, E, Krengel, U.
Deposit date:2013-10-27
Release date:2014-12-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (0.997 Å)
Cite:Atomic-resolution structure of the alpha-galactosyl binding Lyophyllum decastes lectin reveals a new protein family found in both fungi and plants.
Glycobiology, 25, 2015
4NE3
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BU of 4ne3 by Molmil
Human MHF1-MHF2 complex
Descriptor: Centromere protein S, Centromere protein X
Authors:Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y.
Deposit date:2013-10-28
Release date:2013-12-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8007 Å)
Cite:The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes.
Nat Commun, 5, 2014
6NJS
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BU of 6njs by Molmil
Stat3 Core in complex with compound SD36
Descriptor: Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2019-01-04
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo.
Cancer Cell, 36, 2019
4URK
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BU of 4urk by Molmil
PI3Kg in complex with AZD6482
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM
Authors:Giordanetto, F, Barlaam, B, Berglund, S, Edman, K, Karlsson, O, Lindberg, J, Nylander, S, Inghardt, T.
Deposit date:2014-06-30
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of 9-(1-Phenoxyethyl)-2-Morpholino-4-Oxo-Pyrido[1, 2-A]Pyrimidine-7-Carboxamides as Oral Pi3Kbeta Inhibitors, Useful as Antiplatelet Agents.
Bioorg.Med.Chem.Lett., 24, 2014
6NK4
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BU of 6nk4 by Molmil
KVQIINKKL, crystal structure of a tau protein fragment
Descriptor: Microtubule-associated protein tau
Authors:Eisenberg, D.S, Boyer, D.R, Sawaya, M.R.
Deposit date:2019-01-04
Release date:2020-01-15
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (1.994 Å)
Cite:Intrinsic electronic conductivity of individual atomically resolved amyloid crystals reveals micrometer-long hole hopping via tyrosines.
Proc.Natl.Acad.Sci.USA, 118, 2021

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