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1LXC
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BU of 1lxc by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Acrylamide Inhibitor
Descriptor: 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Miller, W.H, Seefeld, M.A, Newlander, K.A, Uzinskas, I.N, Burgess, W.J, Heerding, D.A, Yuan, C.C.K, Head, M.S, Payne, D.J, Rittenhouse, S.F, Moore, T.D, Pearson, S.C, Dewolf, V, Berry, W.E, Keller, P.M, Polizzi, B.J, Qiu, X, Janson, C.A, Huffman, W.F.
Deposit date:2002-06-05
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
5TIS
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BU of 5tis by Molmil
Room temperature XFEL structure of the native, doubly-illuminated photosystem II complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Fuller, F, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Hussein, R, Zhang, M, Douthit, L, Kubin, M, de Lichtenberg, C, Pham, L.V, Nilsson, H, Cheah, M.H, Shevela, D, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Pastor, E, Weninger, C, Fransson, T, Lassalle, L, Braeuer, P, Aller, P, Docker, P.T, Andi, B, Orville, A.M, Glownia, J.M, Nelson, S, Sikorski, M, Zhu, D, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Watermann, D.G, Evans, G, Wernet, P, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2016-10-03
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25000381 Å)
Cite:Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
1LLS
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BU of 1lls by Molmil
CRYSTAL STRUCTURE OF UNLIGANDED MALTOSE BINDING PROTEIN WITH XENON
Descriptor: Maltose-binding periplasmic protein, XENON
Authors:Rubin, S.M, Lee, S.-Y, Ruiz, E.J, Pines, A, Wemmer, D.E.
Deposit date:2002-04-30
Release date:2002-09-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DETECTION AND CHARACTERIZATION OF XENON-BINDING SITES IN PROTEINS BY 129XE NMR SPECTROSCOPY
J.MOL.BIOL., 322, 2002
1LGN
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BU of 1lgn by Molmil
DECAMERIC DAMP COMPLEX OF HUMAN SERUM AMYLOID P COMPONENT
Descriptor: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, CALCIUM ION, SERUM AMYLOID P COMPONENT
Authors:Hohenester, E, Pepys, M.B, Wood, S.P.
Deposit date:1996-12-04
Release date:1997-12-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of a decameric complex of human serum amyloid P component with bound dAMP.
J.Mol.Biol., 269, 1997
1LI2
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BU of 1li2 by Molmil
T4 Lysozyme Mutant L99A/M102Q Bound by Phenol
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2002-04-17
Release date:2002-05-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Model Binding Site for Testing Scoring Functions in Molecular Docking
J.Mol.Biol., 322, 2002
1LR3
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BU of 1lr3 by Molmil
Crystal structure of thaumatin at high hydrostatic pressure
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Charron, C, Kadri, A, Robert, M.C, Capelle, B, Giege, R, Lorber, B.
Deposit date:2002-05-14
Release date:2003-02-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray diffraction properties of protein crystals prepared in agarose gel under hydrostatic pressure.
J.CRYST.GROWTH, 245, 2002
5W49
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BU of 5w49 by Molmil
The crystal structure of human S-adenosylhomocysteine hydrolase (AHCY) bound to oxadiazole inhibitor
Descriptor: (4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone, 1,2-ETHANEDIOL, Adenosylhomocysteinase, ...
Authors:Dougan, D.R, Lawson, J.D, Lane, W.
Deposit date:2017-06-09
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of AHCY inhibitors using novel high-throughput mass spectrometry.
Biochem. Biophys. Res. Commun., 491, 2017
1LV9
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BU of 1lv9 by Molmil
CXCR3 Binding Chemokine IP-10/CXCL10
Descriptor: Small inducible cytokine B10
Authors:Booth, V, Keizer, D.W, Kamphuis, M.B, Clark-Lewis, I, Sykes, B.D.
Deposit date:2002-05-27
Release date:2002-09-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:The CXCR3 binding chemokine IP-10/CXCL10: structure and receptor interactions.
Biochemistry, 41, 2002
1M1D
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BU of 1m1d by Molmil
TETRAHYMENA GCN5 WITH BOUND BISUBSTRATE ANALOG INHIBITOR
Descriptor: HISTONE H3, TGCN5 HISTONE ACETYL TRANSFERASE
Authors:Poux, A.N, Cebrat, M, Kim, C.M, Cole, P.A, Marmorstein, R.
Deposit date:2002-06-18
Release date:2002-10-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the GCN5 histone acetyltransferase bound to a bisubstrate inhibitor.
Proc.Natl.Acad.Sci.USA, 99, 2002
1IJP
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BU of 1ijp by Molmil
Solution Structure of Ala20Pro/Pro64Ala substituted subunit c of Escherichia coli ATP synthase
Descriptor: ATP Synthase
Authors:Dmitriev, O.Y, Fillingame, R.H.
Deposit date:2001-04-27
Release date:2002-03-27
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of Ala(20) --> Pro/Pro(64) --> Ala substituted subunit c of Escherichia coli ATP synthase in which the essential proline is switched between transmembrane helices.
J.Biol.Chem., 276, 2001
1MQ6
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BU of 1mq6 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MMP
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BU of 1mmp by Molmil
MATRILYSIN COMPLEXED WITH CARBOXYLATE INHIBITOR
Descriptor: 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID, CALCIUM ION, GELATINASE A, ...
Authors:Browner, M.F, Smith, W.W, Castelhano, A.L.
Deposit date:1995-03-22
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
1IDS
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BU of 1ids by Molmil
X-RAY STRUCTURE ANALYSIS OF THE IRON-DEPENDENT SUPEROXIDE DISMUTASE FROM MYCOBACTERIUM TUBERCULOSIS AT 2.0 ANGSTROMS RESOLUTIONS REVEALS NOVEL DIMER-DIMER INTERACTIONS
Descriptor: FE (III) ION, IRON SUPEROXIDE DISMUTASE
Authors:Cooper, J.B, Mcintyre, K, Wood, S.P, Zhang, Y, Young, D.
Deposit date:1994-09-29
Release date:1994-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure analysis of the iron-dependent superoxide dismutase from Mycobacterium tuberculosis at 2.0 Angstroms resolution reveals novel dimer-dimer interactions.
J.Mol.Biol., 246, 1995
1J2O
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BU of 1j2o by Molmil
Structure of FLIN2, a complex containing the N-terminal LIM domain of LMO2 and ldb1-LID
Descriptor: Fusion of Rhombotin-2 and LIM domain-binding protein 1, ZINC ION
Authors:Deane, J.E, Mackay, J.P, Kwan, A.H, Sum, E.Y, Visvader, J.E, Matthews, J.M.
Deposit date:2003-01-08
Release date:2003-05-13
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for the recognition of ldb1 by the N-terminal LIM domains of LMO2 and LMO4
EMBO J., 22, 2003
1LVY
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BU of 1lvy by Molmil
PORCINE ELASTASE
Descriptor: CALCIUM ION, ELASTASE, SULFATE ION
Authors:Schiltz, M, Prange, T.
Deposit date:1996-07-20
Release date:1997-01-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:High-pressure krypton gas and statistical heavy-atom refinement: a successful combination of tools for macromolecular structure determination.
Acta Crystallogr.,Sect.D, 53, 1997
1LX6
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BU of 1lx6 by Molmil
Crystal Structure of E. Coli Enoyl Reductase-NAD+ with a Bound Benzamide Inhibitor
Descriptor: 3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Smith, W.W, Qiu, X, Janson, C.A.
Deposit date:2002-06-04
Release date:2002-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of aminopyridine-based inhibitors of bacterial enoyl-ACP reductase (FabI).
J.Med.Chem., 45, 2002
1K2Y
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BU of 1k2y by Molmil
Crystal Structure of Phosphomannomutase/Phosphoglucomutase S108A mutant from P. aeruginosa
Descriptor: L(+)-TARTARIC ACID, ZINC ION, phosphomannomutase
Authors:Regni, C, Tipton, P.A, Beamer, L.J.
Deposit date:2001-09-30
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of PMM/PGM: an enzyme in the biosynthetic pathway of P. aeruginosa virulence factors.
Structure, 10, 2002
1K35
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BU of 1k35 by Molmil
Crystal Structure of Phosphomannomutase/Phosphoglucomutase from P.aeruginosa
Descriptor: Phosphomannomutase, ZINC ION
Authors:Regni, C, Tipton, P.A, Beamer, L.J.
Deposit date:2001-10-01
Release date:2002-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of PMM/PGM: an enzyme in the biosynthetic pathway of P. aeruginosa virulence factors.
Structure, 10, 2002
1MQ5
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BU of 1mq5 by Molmil
Crystal Structure of 3-chloro-N-[4-chloro-2-[[(4-chlorophenyl)amino]carbonyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa
Descriptor: 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2002-09-13
Release date:2003-01-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
1MEY
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BU of 1mey by Molmil
CRYSTAL STRUCTURE OF A DESIGNED ZINC FINGER PROTEIN BOUND TO DNA
Descriptor: CHLORIDE ION, CONSENSUS ZINC FINGER, DNA (5'-D(*AP*TP*GP*AP*GP*GP*CP*AP*GP*AP*AP*CP*T)-3'), ...
Authors:Kim, C.A, Berg, J.M.
Deposit date:1996-09-27
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A 2.2 A Resolution Crystal Structure of a Designed Zinc Finger Protein Bound to DNA
Nat.Struct.Biol., 3, 1996
1MPV
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BU of 1mpv by Molmil
Structure of bhpBR3, the BAFF-binding loop of BR3 embedded in a beta-hairpin peptide
Descriptor: BLyS Receptor 3
Authors:Kayagaki, N, Yan, M, Seshasayee, D, Wang, H, Lee, W, French, D.M, Grewal, I.S, Cochran, A.G, Gordon, N.C, Yin, J, Starovasnik, M.A, Dixit, V.M.
Deposit date:2002-09-12
Release date:2002-10-30
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:BAFF/BLyS receptor 3 binds the B cell survival factor BAFF ligand through a discrete surface loop and promotes processing of NF-kappaB2.
Immunity, 17, 2002
1MMR
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BU of 1mmr by Molmil
MATRILYSIN COMPLEXED WITH SULFODIIMINE INHIBITOR
Descriptor: 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-12(19),13(18),15,17-TETRAENE-10-CARBAMOYL)PENTA-METHYLSULFONEDIIMINE, CALCIUM ION, MATRILYSIN, ...
Authors:Browner, M.F, Smith, W.W, Castelhano, A.L.
Deposit date:1995-03-22
Release date:1996-04-03
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Matrilysin-inhibitor complexes: common themes among metalloproteases.
Biochemistry, 34, 1995
6XYQ
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BU of 6xyq by Molmil
Multiple system atrophy Type II-2 alpha-synuclein filament
Descriptor: Alpha-synuclein
Authors:Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M.
Deposit date:2020-01-30
Release date:2020-02-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
102D
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BU of 102d by Molmil
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Descriptor: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1994-12-15
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine.
J.Med.Chem., 38, 1995
2D57
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BU of 2d57 by Molmil
Double layered 2D crystal structure of AQUAPORIN-4 (AQP4M23) at 3.2 a resolution by electron crystallography
Descriptor: Aquaporin-4
Authors:Hiroaki, Y, Tani, K, Kamegawa, A, Gyobu, N, Nishikawa, K, Suzuki, H, Walz, T, Sasaki, S, Mitsuoka, K, Kimura, K, Mizoguchi, A, Fujiyoshi, Y.
Deposit date:2005-10-29
Release date:2006-01-31
Last modified:2023-11-08
Method:ELECTRON CRYSTALLOGRAPHY (3.2 Å)
Cite:Implications of the Aquaporin-4 Structure on Array Formation and Cell Adhesion
J.Mol.Biol., 355, 2005

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