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4PS5
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BU of 4ps5 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with TG101348
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 4, ...
Authors:Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
Deposit date:2014-03-06
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
5ZE3
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BU of 5ze3 by Molmil
Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lysyl oxidase homolog 2, ...
Authors:Zhang, X, Liu, M.
Deposit date:2018-02-25
Release date:2018-04-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human lysyl oxidase-like 2 (hLOXL2) in a precursor state.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2PNO
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BU of 2pno by Molmil
Crystal structure of human leukotriene C4 synthase
Descriptor: DODECYL-BETA-D-MALTOSIDE, GLUTATHIONE, Leukotriene C4 synthase
Authors:Ago, H, Kanaoka, Y, Irikura, D, Lam, B.K, Shimamura, T, Austen, K.F, Miyano, M.
Deposit date:2007-04-24
Release date:2007-08-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis
Nature, 448, 2007
2X89
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BU of 2x89 by Molmil
Structure of the Beta2_microglobulin involved in amyloidogenesis
Descriptor: ANTIBODY, BETA-2-MICROGLOBULIN
Authors:Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J.
Deposit date:2010-03-07
Release date:2011-01-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant.
Proc.Natl.Acad.Sci.USA, 108, 2011
5ZE9
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BU of 5ze9 by Molmil
Crystal structure of AMP-PNP bound mutant A3B3 complex from Enterococcus hirae V-ATPase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Maruyama, S, Suzuki, K, Sasaki, H, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T.
Deposit date:2018-02-27
Release date:2019-02-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Metastable asymmetrical structure of a shaftless V1motor.
Sci Adv, 5, 2019
2XAC
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BU of 2xac by Molmil
Structural Insights into the Binding of VEGF-B by VEGFR-1D2: Recognition and Specificity
Descriptor: GLYCEROL, VASCULAR ENDOTHELIAL GROWTH FACTOR B, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
Authors:Iyer, S, Darley, P, Acharya, K.R.
Deposit date:2010-03-30
Release date:2010-05-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural Insights Into the Binding of Vegf-B by Vegfr-1D2: Recognition and Specificity
J.Biol.Chem., 285, 2010
5DQN
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BU of 5dqn by Molmil
Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y
Descriptor: CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ...
Authors:Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A.
Deposit date:2015-09-15
Release date:2015-11-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.262 Å)
Cite:Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis.
Biochemistry, 54, 2015
5A4N
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BU of 5a4n by Molmil
Crystal structure of BPSL1147, a PC4 homolog from Burkholderia pseudomallei K96243 (tetragonal crystal form)
Descriptor: BPSL1147, CHLORIDE ION
Authors:Werten, S, Bayer, N, Hinrichs, W.
Deposit date:2015-06-11
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Analysis and Knock-Out of a Burkholderia Pseudomallei Homolog of the Eukaryotic Transcription Coactivator Pc4.
Gene, 557, 2016
4PSV
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BU of 4psv by Molmil
Mycobacterium tuberculosis RecA phosphate bound room temperature structure I-RT
Descriptor: PHOSPHATE ION, Protein RecA, 1st part, ...
Authors:Chandran, A.V, Prabu, J.R, Patil, N.K, Muniyappa, K, Vijayan, M.
Deposit date:2014-03-08
Release date:2015-03-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural studies on Mycobacterium tuberculosis RecA: Molecular plasticity and interspecies variability
J.Biosci., 40, 2015
5DR0
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BU of 5dr0 by Molmil
Endothiapepsin in complex with fragment 203
Descriptor: 1,2-ETHANEDIOL, 5-(methylsulfanyl)-4-(propan-2-ylsulfonyl)-1H-pyrazol-3-amine, ACETATE ION, ...
Authors:Schiebel, J, Heine, A, Klebe, G.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4PT7
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BU of 4pt7 by Molmil
Structure of initiator
Descriptor: Replication initiator A family protein, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2014-03-10
Release date:2014-06-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of staphylococcal multiresistance plasmid replication origin assembly by the RepA protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
3CBB
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BU of 3cbb by Molmil
Crystal Structure of Hepatocyte Nuclear Factor 4alpha in complex with DNA: Diabetes Gene Product
Descriptor: Hepatocyte Nuclear Factor 4-alpha promoter element DNA, Hepatocyte Nuclear Factor 4-alpha, DNA binding domain, ...
Authors:Lu, P, Rha, G.B, Melikishvili, M, Adkins, B.C, Fried, M.G, Chi, Y.I.
Deposit date:2008-02-21
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of natural promoter recognition by a unique nuclear receptor, HNF4alpha. Diabetes gene product.
J.Biol.Chem., 283, 2008
4IEF
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BU of 4ief by Molmil
Complex of Porphyromonas gingivalis RgpB pro- and mature domains
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, CALCIUM ION, ...
Authors:de Diego, I, Veillard, F.T, Guevara, T, Potempa, B, Sztukowska, M, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2012-12-13
Release date:2013-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Porphyromonas gingivalis Virulence Factor Gingipain RgpB Shows a Unique Zymogenic Mechanism for Cysteine Peptidases.
J.Biol.Chem., 288, 2013
3G5H
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BU of 3g5h by Molmil
Crystallographic analysis of cytochrome P450 cyp121
Descriptor: (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Belin, P, Le Du, M.H, Gondry, M.
Deposit date:2009-02-05
Release date:2009-04-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Identification and structural basis of the reaction catalyzed by CYP121, an essential cytochrome P450 in Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 106, 2009
5G6M
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BU of 5g6m by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2016-06-18
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Biochemistry, 55, 2016
5DRG
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BU of 5drg by Molmil
Green/cyan WasCFP at pH 10.0
Descriptor: GLYCEROL, Green/cyan WasCFP_pH10 at pH 10.0, SODIUM ION
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2015-09-15
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystal structure of pH and T dependent green fluorescent protein WasCFP with Trp based chromophore
Russ.J.Bioorganic Chem., 42 (6), 2016
4ZTP
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BU of 4ztp by Molmil
Fab structure of rabbit monoclonal antibody R53 targeting an epitope in HIV-1 gp120 C4 region
Descriptor: Heavy chain of Fab fragment of rabbit monoclonal antibody R53, Light chain of Fab fragment of rabbit monoclonal antibody R53
Authors:Pan, R, Kong, X.-P.
Deposit date:2015-05-14
Release date:2015-08-19
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural analysis of a novel rabbit monoclonal antibody R53 targeting an epitope in HIV-1 gp120 C4 region critical for receptor and co-receptor binding.
Emerg Microbes Infect, 4, 2015
4ZTX
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BU of 4ztx by Molmil
Neurospora crassa cobalamin-independent methionine synthase complexed with Zn2+
Descriptor: Cobalamin-Independent Methionine synthase, GLYCEROL, NITRATE ION, ...
Authors:Wheatley, R.W, Ng, K.K, Kapoor, M.
Deposit date:2015-05-15
Release date:2015-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Fungal cobalamin-independent methionine synthase: Insights from the model organism, Neurospora crassa.
Arch.Biochem.Biophys., 590, 2015
4PUJ
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BU of 4puj by Molmil
tRNA-Guanine Transglycosylase (TGT) in Complex with 6-Amino-2-{[2-(morpholin-4-yl)ethyl]amino}-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, GLYCEROL, ...
Authors:Neeb, M, Heine, A, Klebe, G.
Deposit date:2014-03-13
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme.
J.Med.Chem., 57, 2014
4ZYB
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BU of 4zyb by Molmil
High resolution structure of M23 peptidase LytM with substrate analogue
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Grabowska, M, Jagielska, E, Czapinska, H, Bochtler, M, Sabala, I.
Deposit date:2015-05-21
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High resolution structure of an M23 peptidase with a substrate analogue.
Sci Rep, 5, 2015
5ZF0
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BU of 5zf0 by Molmil
X-ray Structure of the Electron Transfer Complex between Ferredoxin and Photosystem I
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kubota-Kawai, H, Mutoh, R, Shinmura, K, Setif, P, Nowaczyk, M, Roegner, M, Ikegami, T, Tanaka, T, Kurisu, G.
Deposit date:2018-03-01
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:X-ray structure of an asymmetrical trimeric ferredoxin-photosystem I complex
Nat Plants, 4, 2018
3CBT
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BU of 3cbt by Molmil
Crystal structure of SC4828, a unique phosphatase from Streptomyces coelicolor
Descriptor: MAGNESIUM ION, Phosphatase SC4828, SODIUM ION
Authors:Singer, A.U, Xu, X, Chang, C, Zheng, H, Edwards, A.M, Joachimiak, A, Yakunin, A.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-22
Release date:2008-03-25
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of SC4828, a unique phosphatase from Streptomyces coelicolor.
To be Published
4ZZ8
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BU of 4zz8 by Molmil
X-ray crystal structure of chitosan-binding module 2 in complex with chitotriose derived from chitosanase/glucanase from Paenibacillus sp. IK-5
Descriptor: 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Glucanase/chitosanase, ...
Authors:Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T.
Deposit date:2015-05-22
Release date:2016-04-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase
Biochem.J., 473, 2016
5ZJ7
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BU of 5zj7 by Molmil
Crystal structure of NDM-1 in complex with D-captopril derivative CY22
Descriptor: (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide, 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-19
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:Crystal structure of NDM-1
to be published
4PCH
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BU of 4pch by Molmil
Structure of Human Polyomavirus 7 (HPyV7) VP1 pentamer
Descriptor: GLYCEROL, VP1
Authors:Stroh, L.J, Stehle, T.
Deposit date:2014-04-15
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure analysis of the major capsid proteins of human polyomaviruses 6 and 7 reveals an obstructed sialic Acid binding site.
J.Virol., 88, 2014

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