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4TVG
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BU of 4tvg by Molmil
HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap
Descriptor: 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, GLYCEROL, HIV Protease, ...
Authors:Tiefenbrunn, T, Kislukhin, A, Finn, M.G, Stout, C.D.
Deposit date:2014-06-26
Release date:2014-09-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease.
J.Phys.Chem.B, 119, 2015
3RGV
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BU of 3rgv by Molmil
A single TCR bound to MHCI and MHC II reveals switchable TCR conformers
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ...
Authors:Dai, S, Huseby, E, Scott-Browne, J, Rubtsova, K, Pinilla, C, Crawford, F, Marrack, P, Yin, L, Kappler, J.W.
Deposit date:2011-04-09
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Single T Cell Receptor Bound to Major Histocompatibility Complex Class I and Class II Glycoproteins Reveals Switchable TCR Conformers.
Immunity, 35, 2011
4U5G
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BU of 4u5g by Molmil
Crystal structure of con-ikot-ikot toxin
Descriptor: Con-ikot-ikot, ZINC ION
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1997 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
1C4T
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BU of 1c4t by Molmil
CATALYTIC DOMAIN FROM TRIMERIC DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE
Descriptor: PROTEIN (DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE), SULFATE ION
Authors:Knapp, J.E, Carroll, D, Lawson, J.E, Ernst, S.R, Reed, L.J, Hackert, M.L.
Deposit date:1999-09-22
Release date:2000-02-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Expression, purification, and structural analysis of the trimeric form of the catalytic domain of the Escherichia coli dihydrolipoamide succinyltransferase.
Protein Sci., 9, 2000
4U5H
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BU of 4u5h by Molmil
crystal structure of con-ikot-ikot toxin
Descriptor: Con-ikot-ikot
Authors:Chen, L, Gouaux, E.
Deposit date:2014-07-25
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
1BSP
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BU of 1bsp by Molmil
THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Descriptor: PHOSPHATE ION, THYMIDYLATE SYNTHASE A
Authors:Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M.
Deposit date:1998-07-09
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
4UFU
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BU of 4ufu by Molmil
Crystal structure of human tankyrase 2 in complex with TA-12
Descriptor: 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
Authors:Haikarainen, T, Lehtio, L.
Deposit date:2015-03-19
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
1C5H
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BU of 1c5h by Molmil
HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE
Descriptor: ENDO-1,4-BETA-XYLANASE
Authors:Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P.
Deposit date:1999-11-24
Release date:2000-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
1C26
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BU of 1c26 by Molmil
CRYSTAL STRUCTURE OF P53 TETRAMERIZATION DOMAIN
Descriptor: P53 TUMOR SUPPRESSOR
Authors:Jeffrey, P.D, Gorina, S, Pavletich, N.P.
Deposit date:1999-07-22
Release date:1999-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the tetramerization domain of the p53 tumor suppressor at 1.7 angstroms.
Science, 267, 1995
1C43
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BU of 1c43 by Molmil
MUTANT HUMAN LYSOZYME WITH FOREIGN N-TERMINAL RESIDUES
Descriptor: PROTEIN (HUMAN LYSOZYME), SODIUM ION
Authors:Takano, K, Tsuchimori, K, Yamagata, Y, Yutani, K.
Deposit date:1999-08-03
Release date:1999-08-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effect of foreign N-terminal residues on the conformational stability of human lysozyme.
Eur.J.Biochem., 266, 1999
1C5I
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BU of 1c5i by Molmil
HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE
Descriptor: ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P.
Deposit date:1999-11-24
Release date:2000-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
1C56
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BU of 1c56 by Molmil
NMR SOLUTION STRUCTURE OF BUTANTOXIN
Descriptor: BUTANTOXIN
Authors:Holaday Jr, S.K, Martin, B.M, Fletcher Jr, P.L, Krishna, N.R.
Deposit date:1999-10-25
Release date:2000-07-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR solution structure of butantoxin.
Arch.Biochem.Biophys., 379, 2000
4TYX
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BU of 4tyx by Molmil
Structure of aquoferric sperm whale myoglobin L29H/F33Y/F43H/S92A mutant
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Bhagi-Damodaran, A, Petrik, I.D, Robinson, H, Lu, Y.
Deposit date:2014-07-09
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Systematic tuning of heme redox potentials and its effects on O2 reduction rates in a designed oxidase in myoglobin.
J.Am.Chem.Soc., 136, 2014
1C4G
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BU of 1c4g by Molmil
PHOSPHOGLUCOMUTASE VANADATE BASED TRANSITION STATE ANALOG COMPLEX
Descriptor: ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE, COBALT (II) ION, PROTEIN (ALPHA-D-GLUCOSE 1-PHOSPHATE PHOSPHOGLUCOMUTASE)
Authors:Baranidharan, S, Ray Jr, W.J.
Deposit date:1999-08-24
Release date:1999-08-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Relationships at the Active Site of Phos in Analog Complexes
To be Published
6O0H
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BU of 6o0h by Molmil
Cryo-EM structure of human ATP-citrate lyase in complex with inhibitor NDI-091143
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate
Authors:Wei, J, Tong, L.
Deposit date:2019-02-16
Release date:2019-04-17
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:An allosteric mechanism for potent inhibition of human ATP-citrate lyase.
Nature, 568, 2019
1C4K
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BU of 1c4k by Molmil
ORNITHINE DECARBOXYLASE MUTANT (GLY121TYR)
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, PROTEIN (ORNITHINE DECARBOXYLASE), PYRIDOXAL-5'-PHOSPHATE
Authors:Vitali, J, Hackert, M.L.
Deposit date:1999-08-26
Release date:2000-02-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Three-dimensional structure of the Gly121Tyr dimeric form of ornithine decarboxylase from Lactobacillus 30a.
Acta Crystallogr.,Sect.D, 55, 1999
1C55
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BU of 1c55 by Molmil
NMR SOLUTION STRUCTURE OF BUTANTOXIN
Descriptor: BUTANTOXIN
Authors:Holaday Jr, S.K, Martin, B.M, Fletcher Jr, P.L, Krishna, N.R.
Deposit date:1999-10-19
Release date:2000-07-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR solution structure of butantoxin.
Arch.Biochem.Biophys., 379, 2000
1C92
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BU of 1c92 by Molmil
Endo-Beta-N-Acetylglucosaminidase H, E132A Mutant
Descriptor: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H
Authors:Rao, V, Cui, T, Guan, C, Van Roey, P.
Deposit date:1999-07-30
Release date:1999-11-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutations of endo-beta-N-acetylglucosaminidase H active site residues Asp130 and Glu132: activities and conformations.
Protein Sci., 8, 1999
1C90
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BU of 1c90 by Molmil
Endo-Beta-N-Acetylglucosaminidase H, E132Q Mutant
Descriptor: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H
Authors:Rao, V, Tao, C, Guan, C, Van Roey, P.
Deposit date:1999-07-30
Release date:1999-11-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mutations of endo-beta-N-acetylglucosaminidase H active site residues Assp130 and Glu132: activities and conformations.
Protein Sci., 8, 1999
1C9N
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BU of 1c9n by Molmil
BACILLUS LENTUS SUBSTILISIN VARIANT (SER 87) K27R/V104Y/N123S/T274A
Descriptor: CALCIUM ION, SERINE PROTEASE, SULFATE ION
Authors:Bott, R.
Deposit date:1999-08-02
Release date:1999-10-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered Bacillus lentus subtilisins having altered flexibility.
J.Mol.Biol., 292, 1999
4UC3
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BU of 4uc3 by Molmil
Translocator protein 18 kDa (TSPO) from Rhodobacter sphaeroides wild type
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, TRANSLOCATOR PROTEIN TSPO
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4UCM
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BU of 4ucm by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
Descriptor: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine
Authors:Robinson, D.A, Wyatt, P.G.
Deposit date:2014-12-04
Release date:2015-05-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
1CD0
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BU of 1cd0 by Molmil
STRUCTURE OF HUMAN LAMDA-6 LIGHT CHAIN DIMER JTO
Descriptor: PROTEIN (JTO, A VARIABLE DOMAIN FROM LAMBDA-6 TYPE IMMUNOGLOBULIN LIGHT CHAIN)
Authors:Pokkuluri, P.R, Solomon, A, Weiss, D.T, Stevens, F.J, Schiffer, M.
Deposit date:1999-03-05
Release date:2000-03-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tertiary structure of human lambda 6 light chains.
Amyloid, 6, 1999
1BYI
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BU of 1byi by Molmil
STRUCTURE OF APO-DETHIOBIOTIN SYNTHASE AT 0.97 ANGSTROMS RESOLUTION
Descriptor: DETHIOBIOTIN SYNTHASE
Authors:Sandalova, T, Schneider, G, Kaeck, H, Lindqvist, Y.
Deposit date:1998-10-15
Release date:1999-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Structure of dethiobiotin synthetase at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1C9H
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BU of 1c9h by Molmil
CRYSTAL STRUCTURE OF FKBP12.6 IN COMPLEX WITH RAPAMYCIN
Descriptor: FKBP12.6, RAPAMYCIN IMMUNOSUPPRESSANT DRUG
Authors:Deivanayagam, C.C.S, Carson, M, Thotakura, A, Narayana, S.V.L, Chodavarapu, C.S.
Deposit date:1999-08-02
Release date:2000-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of FKBP12.6 in complex with rapamycin.
Acta Crystallogr.,Sect.D, 56, 2000

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