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3BE1
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BU of 3be1 by Molmil
Dual specific bH1 Fab in complex with the extracellular domain of HER2/ErbB-2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab Fragment-Heavy Chain, ...
Authors:Bostrom, J.M, Wiesmann, C, Appleton, B.A.
Deposit date:2007-11-15
Release date:2008-11-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Variants of the antibody herceptin that interact with HER2 and VEGF at the antigen binding site
Science, 323, 2009
1CB2
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BU of 1cb2 by Molmil
CELLOBIOHYDROLASE II, CATALYTIC DOMAIN, MUTANT Y169F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE II, alpha-D-mannopyranose
Authors:Kleywegt, G.J, Szardenings, M, Jones, T.A.
Deposit date:1995-11-25
Release date:1996-10-14
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site of Trichoderma reesei cellobiohydrolase II: the role of tyrosine 169.
Protein Eng., 9, 1996
3UGK
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BU of 3ugk by Molmil
Crystal Structure of C205S mutant and Saccharopine Dehydrogenase from Saccharomyces cerevisiae.
Descriptor: Saccharopine dehydrogenase [NAD+, L-lysine-forming]
Authors:Cook, P.F, Kumar, V.P, Thomas, L.M, West, A.H, Bobyk, K.D.
Deposit date:2011-11-02
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Evidence in Support of Lysine 77 and Histidine 96 as Acid-Base Catalytic Residues in Saccharopine Dehydrogenase from Saccharomyces cerevisiae.
Biochemistry, 51, 2012
8AXK
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BU of 8axk by Molmil
Type 3 secretion system export apparatus core, inner rod and needle of Shigella flexneri
Descriptor: Lipoprotein MxiJ, Outer membrane protein MxiD, Protein MxiH, ...
Authors:Lunelli, M.
Deposit date:2022-08-31
Release date:2023-03-01
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Integrative structural analysis of the type III secretion system needle complex from Shigella flexneri.
Protein Sci., 32, 2023
5Y8K
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BU of 5y8k by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + L-serine
Descriptor: (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, GLYCEROL, ...
Authors:Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
Deposit date:2017-08-21
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
5TJR
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BU of 5tjr by Molmil
X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Methylmalonate-semialdehyde dehydrogenase
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-05
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5CPP
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BU of 5cpp by Molmil
THE STRUCTURAL BASIS FOR SUBSTRATE-INDUCED CHANGES IN REDOX POTENTIAL AND SPIN EQUILIBRIUM IN CYTOCHROME P-450(CAM)
Descriptor: ADAMANTANONE, CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.
Biochemistry, 28, 1989
1JBS
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BU of 1jbs by Molmil
Crystal structure of ribotoxin restrictocin and a 29-mer SRD RNA analog
Descriptor: 29-mer sarcin/ricin domain RNA analog, POTASSIUM ION, restrictocin
Authors:Yang, X, Gerczei, T, Glover, L, Correll, C.C.
Deposit date:2001-06-06
Release date:2001-10-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal structures of restrictocin-inhibitor complexes with implications for RNA recognition and base flipping.
Nat.Struct.Biol., 8, 2001
8J1K
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BU of 8j1k by Molmil
co-crystal structure of non-carboxylic acid inhibitor with PHD2
Descriptor: Egl nine homolog 1, MANGANESE (II) ION, N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide
Authors:Xu, J, Fu, Y, Ding, X, Meng, Q, Wang, L, Zhang, M, Ding, X, Ren, F, Zhavoronkov, A.
Deposit date:2023-04-13
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:co-crystal structure of non-carboxylic acid inhibitor with PHD2
To Be Published
5D3U
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BU of 5d3u by Molmil
Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE
Descriptor: CHLORIDE ION, GLYCEROL, P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
Deposit date:2015-08-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
8AJJ
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BU of 8ajj by Molmil
Crystal structure of the disulfide reductase MerA from Staphylococcus aureus
Descriptor: Dihydrolipoamide dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, HISTIDINE
Authors:Weiland, P, Altegoer, F, Bange, G.
Deposit date:2022-07-28
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
6V52
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BU of 6v52 by Molmil
IDO1 IN COMPLEX WITH COMPOUND 1
Descriptor: 3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Koenig, K.V, Augustin, M.A.
Deposit date:2019-12-03
Release date:2020-04-08
Last modified:2020-04-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).
Acs Med.Chem.Lett., 11, 2020
8J27
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BU of 8j27 by Molmil
GK monomer complexes with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase B
Authors:Zhang, T, Guo, C.J, Liu, J.L.
Deposit date:2023-04-14
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:GK monomer complexes with ADP
To Be Published
1C7J
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BU of 1c7j by Molmil
PNB ESTERASE 56C8
Descriptor: POTASSIUM ION, PROTEIN (PARA-NITROBENZYL ESTERASE), SULFATE ION
Authors:Spiller, B, Gershenson, A, Arnold, F, Stevens, R.C.
Deposit date:2000-02-21
Release date:2000-03-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structural view of evolutionary divergence.
Proc.Natl.Acad.Sci.USA, 96, 1999
5Y5L
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BU of 5y5l by Molmil
Time-resolved SFX structure of cytochrome P450nor: dark-2 data in the absence of NADH (resting state)
Descriptor: NADP nitrous oxide-forming nitric oxide reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, 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 (2.1 Å)
Cite:Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate.
Nat Commun, 8, 2017
3TF6
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BU of 3tf6 by Molmil
Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, CHLORIDE ION, EUROPIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-15
Release date:2011-09-07
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7
5NE4
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BU of 5ne4 by Molmil
Crystal Structure of Foot and Mouth Disease Virus O PanAsia
Descriptor: O PanAsia VP1, O PanAsia VP2, O PanAsia VP4, ...
Authors:Kotecha, A, StuarT, D.
Deposit date:2017-03-09
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Nat Commun, 8, 2017
6VA9
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BU of 6va9 by Molmil
Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+
Descriptor: Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Horikoshi, N, Mochly-Rosen, D, Wakatsuki, S.
Deposit date:2019-12-17
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.95 Å)
Cite:Long-range structural defects by pathogenic mutations in most severe glucose-6-phosphate dehydrogenase deficiency.
Proc.Natl.Acad.Sci.USA, 118, 2021
8J0I
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BU of 8j0i by Molmil
Aldo-keto reductase KmAKR
Descriptor: NADPH-dependent alpha-keto amide reductase, SODIUM ION
Authors:Xu, S.Y, Zhou, L, Xu, Y, Wang, Y.J, Zheng, Y.G.
Deposit date:2023-04-11
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Aldo-keto reductase KmAKR from Kluyveromyces marxianus
To Be Published
5Y7G
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BU of 5y7g by Molmil
Crystal structure of paFAN1 bound to 1nt 5'flap DNA with gap
Descriptor: CALCIUM ION, DNA (5'-D(P*GP*AP*AP*TP*GP*TP*GP*TP*GP*TP*CP*TP*CP*AP*AP*TP*CP*CP*CP*AP*AP*CP*TP*T)-3'), DNA (5'-D(P*GP*TP*TP*GP*GP*GP*AP*TP*TP*G)-3'), ...
Authors:Cho, Y, Jin, H.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural mechanism of DNA interstrand cross-link unhooking by the bacterial FAN1 nuclease.
J. Biol. Chem., 293, 2018
5Y8M
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BU of 5y8m by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA)
Descriptor: (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, ...
Authors:Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
Deposit date:2017-08-21
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
8DCS
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BU of 8dcs by Molmil
Cryo-EM structure of cyanopindolol-bound beta1-adrenergic receptor in complex with heterotrimeric Gs-protein
Descriptor: 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3H-indole-2-carbonitrile, Endolysin,Endolysin,Beta-1 adrenergic receptor chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Su, M, Paknejad, N, Hite, R.K, Huang, X.Y.
Deposit date:2022-06-17
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structures of beta 1 -adrenergic receptor in complex with Gs and ligands of different efficacies.
Nat Commun, 13, 2022
6V2M
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BU of 6v2m by Molmil
Structure of Escherichia coli Asp269Asn mutant phosphoenolpyruvate carboxykinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Sokaribo, A.S, Cotelesage, J.H.
Deposit date:2019-11-25
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Kinetic and structural analysis of Escherichia coli phosphoenolpyruvate carboxykinase mutants.
Biochim Biophys Acta Gen Subj, 1864, 2020
8J28
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BU of 8j28 by Molmil
GK monomer complexes with G5P and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Delta-1-pyrroline-5-carboxylate synthase B, GAMMA-GLUTAMYL PHOSPHATE
Authors:Zhang, T, Guo, C.J, Liu, J.L.
Deposit date:2023-04-14
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:GK monomer complexes with G5P and ADP
To Be Published
5TDZ
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BU of 5tdz by Molmil
TEV Cleaved Human ATP Citrate Lyase Bound to Tartrate and ADP
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-20
Release date:2017-08-09
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017

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