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5ADF
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BU of 5adf by Molmil
Structure of human nNOS R354A G357D mutant heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl)quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine, NITRIC OXIDE SYNTHASE, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.966 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6CEZ
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BU of 6cez by Molmil
Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB
Descriptor: HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2
Authors:Kong, X, Pan, R.
Deposit date:2018-02-13
Release date:2018-09-12
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.399 Å)
Cite:Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7.
PLoS Pathog., 14, 2018
7ZMW
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BU of 7zmw by Molmil
14-3-3s binding to non-natural peptide 2c
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 1
Authors:Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
Deposit date:2022-04-19
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
4ON0
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BU of 4on0 by Molmil
Crystal Structure of NolR from Sinorhizobium fredii in complex with oligo AA DNA
Descriptor: DNA (5 -D(*TP*AP*AP*TP*CP*TP*CP*TP*TP*GP*GP*GP*AP*CP*TP*AP*CP*AP*AP*TP*TP*A)-3 ), DNA (5 -D(*TP*AP*TP*TP*AP*GP*AP*GP*AP*AP*CP*CP*CP*TP*GP*AP*TP*GP*TP*TP*AP*A)-3 ), NolR
Authors:Lee, S.G, Krishnan, H.B, Jez, J.M.
Deposit date:2014-01-28
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for regulation of rhizobial nodulation and symbiosis gene expression by the regulatory protein NolR.
Proc.Natl.Acad.Sci.USA, 111, 2014
6CJH
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BU of 6cjh by Molmil
Co-crystal structure of MNK2 in complex with an inhibitor
Descriptor: 3-phenyl-5-(pyridin-4-yl)-1H-indazole, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION
Authors:Han, Q.
Deposit date:2018-02-26
Release date:2018-05-09
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition.
J. Med. Chem., 61, 2018
3V5O
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BU of 3v5o by Molmil
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
Descriptor: Dihydropteroate synthase, SULFATE ION
Authors:Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
4OTD
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BU of 4otd by Molmil
Crystal Structure of PRK1 Catalytic Domain
Descriptor: Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
7ZMU
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BU of 7zmu by Molmil
14-3-3s binding to non-natural peptide 2d
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, non-natural peptide 2
Authors:Somsen, B.A, Craenmehr, F.W.B, Ottmann, C.
Deposit date:2022-04-19
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional mapping of the 14-3-3 hub protein as a guide to design 14-3-3 molecular glues.
Chem Sci, 13, 2022
7ZOL
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BU of 7zol by Molmil
Cryo-EM structure of a CRISPR effector in complex with regulator
Descriptor: Cas7-11, TPR-CHAT, ZINC ION, ...
Authors:Babatunde, E.E, Davide, T, Bertrand, B, Sergey, N, Alexander, M, Henning, S, Dong, C.N.
Deposit date:2022-04-26
Release date:2022-11-30
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural insights into the regulation of Cas7-11 by TPR-CHAT.
Nat.Struct.Mol.Biol., 30, 2023
4ZSY
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BU of 4zsy by Molmil
Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid.
Descriptor: (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ...
Authors:Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D.
Deposit date:2015-05-14
Release date:2015-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid.
Acs Chem.Biol., 10, 2015
7ZOQ
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BU of 7zoq by Molmil
Cryo-EM structure of a CRISPR effector in complex with a caspase regulator
Descriptor: RNA (39-MER), TPR-CHAT, ZINC ION, ...
Authors:Babatunde, E.E, Davide, T, Bertrand, B, Sergey, N, Alexander, M, Henning, S, Dong, C.N.
Deposit date:2022-04-26
Release date:2022-11-30
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into the regulation of Cas7-11 by TPR-CHAT.
Nat.Struct.Mol.Biol., 30, 2023
2C5I
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BU of 2c5i by Molmil
N-terminal domain of tlg1 complexed with N-terminus of vps51 in distorted conformation
Descriptor: SULFATE ION, T-SNARE AFFECTING A LATE GOLGI COMPARTMENT PROTEIN 1, VACUOLAR PROTEIN SORTING PROTEIN 51
Authors:Fridmann-Sirkis, Y, Kent, H.M, Lewis, M.J, Evans, P.R, Pelham, H.R.B.
Deposit date:2005-10-27
Release date:2006-01-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Analysis of the Interaction between the Snare Tlg1 and Vps51.
Traffic, 7, 2006
3LMY
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BU of 3lmy by Molmil
The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bateman, K.S, Cherney, M.M, Withers, S.G, Mahuran, D.J, Tropak, M, James, M.N.G.
Deposit date:2010-02-01
Release date:2011-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Crystal Structure of beta-hexosaminidase B in complex with Pyrimethamine
To be Published
1NF5
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BU of 1nf5 by Molmil
Crystal Structure of Lactose Synthase, Complex with Glucose
Descriptor: 1,2-ETHANEDIOL, Alpha-lactalbumin, CALCIUM ION, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2002-12-13
Release date:2002-12-25
Last modified:2020-07-29
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
3CTO
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BU of 3cto by Molmil
Crystal Structure of M. tuberculosis YefM antitoxin
Descriptor: SULFATE ION, Uncharacterized protein Rv3357/MT3465
Authors:Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C.
Deposit date:2008-04-14
Release date:2008-12-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein
J.Mol.Biol., 383, 2008
1N8V
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BU of 1n8v by Molmil
Chemosensory Protein in complex with bromo-dodecanol
Descriptor: BROMO-DODECANOL, chemosensory protein
Authors:Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C.
Deposit date:2002-11-21
Release date:2003-04-01
Last modified:2017-02-01
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
4P3Z
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BU of 4p3z by Molmil
Chlamydia pneumoniae CopN (D29 construct)
Descriptor: CopN, GLYCEROL, SULFATE ION
Authors:Nawrotek, A, Guimaraes, B.G, Knossow, M, Gigant, B.
Deposit date:2014-03-10
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Biochemical and Structural Insights into Microtubule Perturbation by CopN from Chlamydia pneumoniae.
J.Biol.Chem., 289, 2014
7SP5
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BU of 7sp5 by Molmil
Crystal Structure of a Eukaryotic Phosphate Transporter
Descriptor: PHOSPHATE ION, Phosphate transporter, nonyl beta-D-glucopyranoside
Authors:Stroud, R.M, Pedersen, B.P, Kumar, H, Waight, A.B, Risenmay, A.J, Roe-Zurz, Z, Chau, B.H, Schlessinger, A, Bonomi, M, Harries, W, Sali, A, Johri, A.K, Finer-Moore, J.
Deposit date:2021-11-02
Release date:2021-11-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of a eukaryotic phosphate transporter.
Nature, 496, 2013
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
2BEI
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BU of 2bei by Molmil
X-ray structure of thialysine n-acetyltransferase (SSAT2) from homo sapiens
Descriptor: ACETYL COENZYME *A, Diamine acetyltransferase 2
Authors:Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Bae, E, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2005-10-24
Release date:2005-11-01
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.842 Å)
Cite:Crystal structure of Homo sapiens thialysine Nepsilon-acetyltransferase (HsSSAT2) in complex with acetyl coenzyme A.
Proteins, 64, 2006
5HQN
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BU of 5hqn by Molmil
Catalytic domain of murine Acid Sphingomyelinase (ASMase, ASM, SMPD1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B.
Deposit date:2016-01-21
Release date:2016-07-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of mammalian acid sphingomyelinase.
Nat Commun, 7, 2016
5ADE
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BU of 5ade by Molmil
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl) phenoxy)methyl)quinolin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-08-20
Release date:2015-10-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
6P9X
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BU of 6p9x by Molmil
CRF1 Receptor Gs GPCR protein complex with CRF1 peptide
Descriptor: Corticoliberin, Corticotropin-releasing factor receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Liang, Y.L, Sexton, P, Danev, R.
Deposit date:2019-06-10
Release date:2020-02-05
Last modified:2020-02-19
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Toward a Structural Understanding of Class B GPCR Peptide Binding and Activation.
Mol.Cell, 77, 2020
1E9Z
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BU of 1e9z by Molmil
Crystal structure of Helicobacter pylori urease
Descriptor: NICKEL (II) ION, UREASE SUBUNIT ALPHA, UREASE SUBUNIT BETA
Authors:Ha, N.-C, Oh, S.-T, Oh, B.-H.
Deposit date:2000-11-01
Release date:2001-11-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Supramolecular Assembly and Acid Resistance of Helicobacter Pylori Urease
Nat.Struct.Biol., 8, 2001
5OKI
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BU of 5oki by Molmil
Crystal structure of the Ctf18-1-8 module from Ctf18-RFC in complex with a 63 kDa fragment of DNA Polymerase epsilon
Descriptor: Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, DNA polymerase epsilon catalytic subunit A, ...
Authors:Grabarczyk, D.B, Kisker, C.
Deposit date:2017-07-25
Release date:2017-12-20
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Structural Basis for the Recruitment of Ctf18-RFC to the Replisome.
Structure, 26, 2018

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