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1NMM
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beta-1,4-galactosyltransferase mutant Cys342Thr complex with alpha-lactalbumin and GlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ...
Authors:Ramakrishnan, B, Shah, P.S, Qasba, P.K.
Deposit date:2003-01-10
Release date:2003-01-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:alpha-Lactalbumin (LA) stimulates milk beta-1,4-galactosyltransferase I (beta 4Gal-T1) to transfer glucose from UDP-glucose to N-acetylglucosamine. Crystal structure of beta 4Gal-T1 x LA complex with UDP-Glc.
J.Biol.Chem., 276, 2001
3G9R
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Structure of the HIV-1 gp41 Membrane-Proximal Ectodomain Region in a Putative Prefusion Conformation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Fusion complex of HIV-1 Envelope glycoprotein and Saccharomyces cerevisiae General control protein GCN4, PHOSPHATE ION
Authors:Liu, J, Lu, M.
Deposit date:2009-02-13
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the HIV-1 gp41 Membrane-Proximal Ectodomain Region in a Putative Prefusion Conformation.
Biochemistry, 48, 2009
3M8P
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HIV-1 RT with NNRTI TMC-125
Descriptor: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Harris, S.F, Villasenor, A.
Deposit date:2010-03-18
Release date:2010-05-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.
Bioorg.Med.Chem.Lett., 20, 2010
3MBF
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BU of 3mbf by Molmil
Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to fructose 1,6-bisphosphate
Descriptor: 1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM), Fructose-bisphosphate aldolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-25
Release date:2010-04-07
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi.
Acta Crystallogr.,Sect.F, 67, 2011
4K84
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BU of 4k84 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)
Descriptor: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-17
Release date:2013-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
3MLZ
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BU of 3mlz by Molmil
Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a VI191 V3 peptide
Descriptor: HIV-1 gp120 third variable region (V3) crown, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab heavy chain, Human monoclonal anti-HIV-1 gp120 V3 antibody 3074 Fab light chain
Authors:Kong, X.-P.
Deposit date:2010-04-18
Release date:2010-07-14
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Conserved structural elements in the V3 crown of HIV-1 gp120.
Nat.Struct.Mol.Biol., 17, 2010
3FZQ
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Crystal structure of putative haloacid dehalogenase-like hydrolase (YP_001086940.1) from Clostridium difficile 630 at 2.10 A resolution
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Putative hydrolase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-01-26
Release date:2009-02-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of putative haloacid dehalogenase-like hydrolase (YP_001086940.1) from Clostridium difficile 630 at 2.10 A resolution
To be published
3C2U
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BU of 3c2u by Molmil
Structure of the two subsite D-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Xylosidase/arabinosidase
Authors:Brunzelle, J.S, Jordan, D.B, McCaslin, D.R, Olczak, A, Wawrzak, A.
Deposit date:2008-01-25
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of the two-subsite beta-d-xylosidase from Selenomonas ruminantium in complex with 1,3-bis[tris(hydroxymethyl)methylamino]propane.
Arch.Biochem.Biophys., 474, 2008
1YZ0
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BU of 1yz0 by Molmil
R-State AMP Complex Reveals Initial Steps of the Quaternary Transition of Fructose-1,6-bisphosphatase
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase, ...
Authors:Iancu, C.V, Mukund, S, Fromm, H.J, Honzatko, R.B.
Deposit date:2005-02-25
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:R-state AMP complex reveals initial steps of the quaternary transition of fructose-1,6-bisphosphatase.
J.Biol.Chem., 280, 2005
4K0A
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BU of 4k0a by Molmil
Crystal structure of CD4-mimetic miniprotein M48U7 in complex with HIV-1 YU2 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD4-MIMETIC MINIPROTEIN M48U7, CITRATE ANION, ...
Authors:Acharya, P, Kwong, P.D.
Deposit date:2013-04-03
Release date:2013-06-12
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis for Highly Effective HIV-1 Neutralization by CD4-Mimetic Miniproteins Revealed by 1.5 A Cocrystal Structure of gp120 and M48U1.
Structure, 21, 2013
1NV4
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Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (1 mM)
Descriptor: 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ...
Authors:Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B.
Deposit date:2003-02-02
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
7JJC
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BU of 7jjc by Molmil
Crystal structure of neuropilin-1 b1 domain in complex with SARS-CoV-2 S1 C-end rule (CendR) peptide
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Neuropilin-1, ...
Authors:Chen, K.-E, Collins, B.M.
Deposit date:2020-07-25
Release date:2020-10-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Neuropilin-1 is a host factor for SARS-CoV-2 infection.
Science, 370, 2020
3MYP
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BU of 3myp by Molmil
Crystal structure of tagatose-1,6-bisphosphate aldolase from Staphylococcus aureus
Descriptor: Tagatose 1,6-diphosphate aldolase
Authors:Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W.
Deposit date:2010-05-10
Release date:2011-01-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation
Febs Lett., 585, 2011
4HVP
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Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 Angstroms resolution
Descriptor: HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Miller, M, Schneider, J, Sathyanarayana, B.K, Toth, M.V, Marshall, G.R, Clawson, L, Selk, L, Kent, S.B.H, Wlodawer, A.
Deposit date:1989-08-08
Release date:1990-04-15
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution.
Science, 246, 1989
1XR1
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BU of 1xr1 by Molmil
Crystal structure of hPim-1 kinase in complex with AMP-PNP at 2.1 A Resolution
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
Deposit date:2004-10-13
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
6CK9
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BU of 6ck9 by Molmil
Crystal Structure of HIV-1 ConC_Base0 Prefusion Env Trimer in Complex with Human Antibody Fragment 3H109L and 35O22 variants at 3.5 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lai, Y.-T, Kwong, P.D.
Deposit date:2018-02-27
Release date:2018-04-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.714 Å)
Cite:A Universal Approach to Optimize the Folding and Stability of Prefusion-Closed HIV-1 Envelope Trimers.
Cell Rep, 23, 2018
7KI7
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BU of 7ki7 by Molmil
The external aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.75 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-10-23
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The external aldimine crystal structure of the beta-K167T mutant Tryptophan Synthase at 1.75 Angstrom resolution in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site.
To be Published
2VS5
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BU of 2vs5 by Molmil
THE BINDING OF UDP-GALACTOSE BY AN ACTIVE SITE MUTANT OF alpha-1,3 GALACTOSYLTRANSFERASE (alpha3GT)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GALACTOSE-URIDINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Tumbale, P, Jamaluddin, H, Thiyagarajan, N, Brew, K, Acharya, K.R.
Deposit date:2008-04-18
Release date:2008-07-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis of Udp-Galactose Binding by Alpha- 1,3-Galactosyltransferase (Alpha3Gt): Role of Negative Charge on Aspartic Acid 316 in Structure and Activity.
Biochemistry, 47, 2008
1NQI
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BU of 1nqi by Molmil
crystal structure of lactose synthase, a 1:1 complex between beta1,4-galactosyltransferase and alpha-lactalbumin in the presence of GlcNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2003-01-21
Release date:2003-02-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of lactose synthase reveals a large conformational change in its catalytic component, the beta-1,4-galactosyltransferase
J.Mol.Biol., 310, 2001
4PLE
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BU of 4ple by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to an E. Coli Phospholipid and a Fragment of TIF-2
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:Ortlund, E.A, Musille, P.M.
Deposit date:2014-05-16
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Unexpected Allosteric Network Contributes to LRH-1 Co-regulator Selectivity.
J.Biol.Chem., 291, 2016
3B80
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BU of 3b80 by Molmil
HIV-1 protease mutant I54V complexed with gem-diol-amine intermediate NLLTQI
Descriptor: CHLORIDE ION, Protease, SODIUM ION, ...
Authors:Chumanevich, A.A, Kovalevsky, A.Y, Weber, I.T.
Deposit date:2007-10-31
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caught in the Act: The 1.5 A Resolution Crystal Structures of the HIV-1 Protease and the I54V Mutant Reveal a Tetrahedral Reaction Intermediate.
Biochemistry, 46, 2007
1VG9
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BU of 1vg9 by Molmil
The crystal structures of the REP-1 protein in complex with C-terminally truncated Rab7 protein
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rak, A, Pylypenko, O, Niculae, A, Pyatkov, K, Goody, R.S, Alexandrov, K.
Deposit date:2004-04-23
Release date:2004-07-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Rab7:REP-1 complex: insights into the mechanism of Rab prenylation and choroideremia disease
Cell(Cambridge,Mass.), 117, 2004
2PEB
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BU of 2peb by Molmil
Crystal structure of a putative dioxygenase (npun_f1925) from nostoc punctiforme pcc 73102 at 1.46 A resolution
Descriptor: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UNKNOWN LIGAND, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-04-02
Release date:2007-04-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal structure of putative dioxygenase (ZP_00109509.1) from Nostoc punctiforme PCC 73102 at 1.46 A resolution
To be published
1SGU
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BU of 1sgu by Molmil
Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein
Authors:Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M.
Deposit date:2004-02-24
Release date:2004-10-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease.
Biochemistry, 43, 2004
1YYM
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crystal structure of F23, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 gp120 envelope glycoprotein and anti-HIV-1 antibody 17b
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Exterior membrane glycoprotein(GP120),Exterior membrane glycoprotein(GP120),Exterior membrane glycoprotein(GP120), ...
Authors:Huang, C.C, Stricher, F, Martin, L, Decker, J.M, Majeed, S, Barthe, P, Hendrickson, W.A, Robinson, J, Roumestand, C, Sodroski, J, Wyatt, R, Shaw, G.M, Vita, C, Kwong, P.D.
Deposit date:2005-02-25
Release date:2005-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Scorpion-toxin mimics of CD4 in complex with human immunodeficiency virus gp120 crystal structures, molecular mimicry, and neutralization breadth.
Structure, 13, 2005

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