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1SGQ
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BU of 1sgq by Molmil
GLY 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
Descriptor: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
Authors:Huang, K, James, M.N.G.
Deposit date:1995-05-26
Release date:1995-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1SGR
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BU of 1sgr by Molmil
LEU 18 VARIANT OF TURKEY OVOMUCOID INHIBITOR THIRD DOMAIN COMPLEXED WITH STREPTOMYCES GRISEUS PROTEINASE B
Descriptor: PHOSPHATE ION, STREPTOMYCES GRISEUS PROTEINASE B, TURKEY OVOMUCOID INHIBITOR
Authors:Huang, K, James, M.N.G.
Deposit date:1995-05-26
Release date:1995-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Water molecules participate in proteinase-inhibitor interactions: crystal structures of Leu18, Ala18, and Gly18 variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B.
Protein Sci., 4, 1995
1T96
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BU of 1t96 by Molmil
r106g kdo8ps with pep
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ...
Authors:Gatti, D.L.
Deposit date:2004-05-14
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1T99
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BU of 1t99 by Molmil
r106g kdo8ps without substrates
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION
Authors:Gatti, D.L.
Deposit date:2004-05-16
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1T8X
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BU of 1t8x by Molmil
r106g kdo8ps with pep and a5p
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ...
Authors:Gatti, D.L.
Deposit date:2004-05-13
Release date:2005-06-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
1UL9
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BU of 1ul9 by Molmil
CGL2 ligandfree
Descriptor: galectin-2
Authors:Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
Deposit date:2003-09-12
Release date:2004-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULC
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BU of 1ulc by Molmil
CGL2 in complex with lactose
Descriptor: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2
Authors:Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
Deposit date:2003-09-12
Release date:2004-04-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULF
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BU of 1ulf by Molmil
CGL2 in complex with Blood Group A tetrasaccharide
Descriptor: alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2
Authors:Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
Deposit date:2003-09-12
Release date:2004-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULE
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BU of 1ule by Molmil
CGL2 in complex with linear B2 trisaccharide
Descriptor: alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, galectin-2
Authors:Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
Deposit date:2003-09-12
Release date:2004-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULD
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BU of 1uld by Molmil
CGL2 in complex with blood group H type II
Descriptor: alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, galectin-2
Authors:Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
Deposit date:2003-09-12
Release date:2004-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
1ULG
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BU of 1ulg by Molmil
CGL2 in complex with Thomsen-Friedenreich antigen
Descriptor: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, galectin-2
Authors:Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N.
Deposit date:2003-09-12
Release date:2004-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and Functional Analysis of the Fungal Galectin CGL2
STRUCTURE, 12, 2004
7PP4
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BU of 7pp4 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme comprising sigma factor SigB
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Brodolin, K.
Deposit date:2021-09-13
Release date:2022-09-21
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Structural basis of the mycobacterial stress-response RNA polymerase auto-inhibition via oligomerization
Biorxiv, 2022
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
Descriptor: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
Authors:Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
Deposit date:2021-08-24
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
7PUX
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BU of 7pux by Molmil
Structure of p97 N-D1(L198W) in complex with Fragment TROLL2
Descriptor: (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Bothe, S, Schindelin, H.
Deposit date:2021-10-01
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97
Commun Chem, 5, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
Descriptor: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
Authors:Bobrovs, R, Jaudzems, K.
Deposit date:2022-01-28
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
7QI3
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BU of 7qi3 by Molmil
Structure of Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase
Descriptor: 1,2-ETHANEDIOL, Arylamine N-acetyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Lowe, E.D, Kotomina, E, Karagianni, E, Boukouvala, S.
Deposit date:2021-12-14
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fusarium verticillioides NAT1 (FDB2) N-malonyltransferase is structurally, functionally and phylogenetically distinct from its N-acetyltransferase (NAT) homologues.
Febs J., 290, 2023
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
Descriptor: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2021-12-17
Release date:2022-12-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7RVA
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BU of 7rva by Molmil
Updated Crystal Structure of Replication Initiator Protein REPE54.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*T)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-08-18
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
Descriptor: PHOSPHATE ION, Triosephosphate isomerase
Authors:Vickers, C.J, Patrick, W.M, Fraga, D.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of WweTPI - Candidate division WWE3
To Be Published
7R3U
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BU of 7r3u by Molmil
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
Descriptor: 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Snee, M, Katariya, M, Leys, D, Levy, C.
Deposit date:2022-02-07
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
Descriptor: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-10-05
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SDP
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BU of 7sdp by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-09-29
Release date:2021-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7SOZ
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BU of 7soz by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-01
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-02
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7S1G
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BU of 7s1g by Molmil
wild-type Escherichia coli stalled ribosome with antibiotic linezolid
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Young, I.D, Stojkovic, V, Tsai, K, Lee, D.J, Fraser, J.S, Galonic Fujimori, D.
Deposit date:2021-09-02
Release date:2021-11-17
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Structural basis for context-specific inhibition of translation by oxazolidinone antibiotics.
Nat.Struct.Mol.Biol., 29, 2022

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