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5IEV
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BU of 5iev by Molmil
Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2
Descriptor: Cyclin-dependent kinase 2, Roniciclib
Authors:Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
Deposit date:2016-02-25
Release date:2016-04-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5IB4
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BU of 5ib4 by Molmil
Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR and Nickel
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B.
Deposit date:2016-02-22
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
1IQP
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BU of 1iqp by Molmil
Crystal Structure of the Clamp Loader Small Subunit from Pyrococcus furiosus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, RFCS
Authors:Oyama, T, Ishino, Y, Cann, I.K.O, Ishino, S, Morikawa, K.
Deposit date:2001-07-24
Release date:2001-09-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atomic Structure of the Clamp Loader Small Subunit from Pyrococcus furiosus
Mol.Cell, 8, 2001
5I17
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BU of 5i17 by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV3-20
Descriptor: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
Authors:Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
Deposit date:2016-02-05
Release date:2016-06-08
Last modified:2016-08-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural diversity in a human antibody germline library.
Mabs, 8, 2016
1IT4
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BU of 1it4 by Molmil
Solution structure of the prokaryotic Phospholipase A2 from Streptomyces violaceoruber
Descriptor: CALCIUM ION, phospholipase A2
Authors:Ohtani, K, Sugiyama, M, Izuhara, M, Koike, T.
Deposit date:2002-01-08
Release date:2002-09-04
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure.
J.BIOL.CHEM., 277, 2002
1TG2
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BU of 1tg2 by Molmil
Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Erlandsen, H, Pey, A.L, Gamez, A, Perez, B, Desviat, L.R, Aguado, C, Koch, R, Surendran, S, Tyring, S, Matalon, R, Scriver, C.R, Ugarte, M, Martinez, A, Stevens, R.C.
Deposit date:2004-05-28
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Correction of kinetic and stability defects by tetrahydrobiopterin in phenylketonuria patients with certain phenylalanine hydroxylase mutations.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5I9M
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BU of 5i9m by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT408
Descriptor: 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-20
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5IB2
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BU of 5ib2 by Molmil
Crystal structure of HLA-B*27:05 complexed with the self-peptide pVIPR
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B.
Deposit date:2016-02-22
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
5IBE
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BU of 5ibe by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25a
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol, Mycocyclosin synthase, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.624 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
1T5M
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BU of 1t5m by Molmil
Structural transitions as determinants of the action of the calcium-dependent antibiotic daptomycin
Descriptor: DAPTOMYCIN, DECANOIC ACID
Authors:Jung, D, Rozek, A, Okon, M, Hancock, R.E.
Deposit date:2004-05-04
Release date:2004-08-31
Last modified:2012-12-12
Method:SOLUTION NMR
Cite:Structural Transitions as Determinants of the Action of the Calcium-Dependent Antibiotic Daptomycin.
Chem.Biol., 11, 2004
5IAT
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BU of 5iat by Molmil
Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - apo-BaP4H
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Procollagen-Proline Dioxygenase
Authors:Schnicker, N.J, Dey, M.
Deposit date:2016-02-21
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Bacillus anthracis Prolyl 4-Hydroxylase Modifies Collagen-like Substrates in Asymmetric Patterns.
J.Biol.Chem., 291, 2016
5IB5
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BU of 5ib5 by Molmil
Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper
Descriptor: Beta-2-microglobulin, CHLORIDE ION, COPPER (II) ION, ...
Authors:Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B.
Deposit date:2016-02-22
Release date:2017-02-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
Descriptor: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.
Deposit date:2016-02-22
Release date:2016-04-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
1IPP
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BU of 1ipp by Molmil
HOMING ENDONUCLEASE/DNA COMPLEX
Descriptor: CADMIUM ION, DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*AP*GP*TP*CP*A)-3'), INTRON-ENCODED ENDONUCLEASE I-PPOI, ...
Authors:Flick, K.E, Jurica, M.S, Monnat Jr, R.J, Stoddard, B.L.
Deposit date:1998-03-19
Release date:1998-09-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
1IT5
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BU of 1it5 by Molmil
Solution structure of apo-type PLA2 from Streptomyces violaceruber A-2688.
Descriptor: Phospholipase A2
Authors:Sugiyama, M, Ohtani, K, Izuhara, M, Koike, T.
Deposit date:2002-01-09
Release date:2002-09-04
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A novel prokaryotic phospholipase A2. Characterization, gene cloning, and solution structure.
J.Biol.Chem., 277, 2002
5IGQ
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BU of 5igq by Molmil
WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2) bound to peptide from Trib1
Descriptor: E3 ubiquitin-protein ligase RFWD2, Tribbles homolog 1
Authors:Uljon, S, Blacklow, S.C.
Deposit date:2016-02-28
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
5ID9
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BU of 5id9 by Molmil
Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
Descriptor: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ...
Authors:Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
Deposit date:2016-02-24
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
1IWK
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BU of 1iwk by Molmil
Putidaredoxin-Binding Stablilizes an Active Conformer of Cytochrome P450cam in its Reduced State; Crystal Structure of Mutant(112K) Cytochrome P450cam
Descriptor: CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nagano, S, Shimada, H, Tarumi, A, Hishiki, T, Kimata-Ariga, Y, Egawa, T, Park, S.-Y, Adachi, S, Shiro, Y, Ishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2002-05-15
Release date:2002-06-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Infrared spectroscopic and mutational studies on putidaredoxin-induced conformational changes in ferrous CO-P450cam
Biochemistry, 42, 2003
5IJN
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BU of 5ijn by Molmil
Composite structure of the inner ring of the human nuclear pore complex (32 copies of Nup205)
Descriptor: NUCLEAR PORE COMPLEX PROTEIN NUP155, NUCLEAR PORE COMPLEX PROTEIN NUP205, NUCLEAR PORE COMPLEX PROTEIN NUP54, ...
Authors:Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M.
Deposit date:2016-03-02
Release date:2016-04-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (21.4 Å)
Cite:Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
1TGX
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BU of 1tgx by Molmil
X-RAY STRUCTURE AT 1.55 A OF TOXIN GAMMA, A CARDIOTOXIN FROM NAJA NIGRICOLLIS VENOM. CRYSTAL PACKING REVEALS A MODEL FOR INSERTION INTO MEMBRANES
Descriptor: CHLORIDE ION, GAMMA-CARDIOTOXIN
Authors:Bilwes, A, Rees, B, Moras, D.
Deposit date:1993-11-24
Release date:1994-04-30
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray structure at 1.55 A of toxin gamma, a cardiotoxin from Naja nigricollis venom. Crystal packing reveals a model for insertion into membranes.
J.Mol.Biol., 239, 1994
5I6D
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BU of 5i6d by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]
Descriptor: 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ...
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-16
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
1IH0
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BU of 1ih0 by Molmil
Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD 57033
Descriptor: 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE, CALCIUM ION, TROPONIN C, ...
Authors:Wang, X, Li, M.X, Spyracopoulos, L, Beier, N, Chandra, M, Solaro, R.J, Sykes, B.D.
Deposit date:2001-04-18
Release date:2001-10-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033.
J.Biol.Chem., 276, 2001
1SVC
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BU of 1svc by Molmil
NFKB P50 HOMODIMER BOUND TO DNA
Descriptor: DNA (5'-D(*AP*GP*AP*TP*GP*GP*GP*GP*AP*AP*TP*CP*CP*CP*CP*TP*A P*GP*A)-3'), PROTEIN (NUCLEAR FACTOR KAPPA-B (NF-KB))
Authors:Mueller, C.W, Harrison, S.C.
Deposit date:1995-11-27
Release date:1996-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the NF-kappa B p50 homodimer bound to DNA.
Nature, 373, 1995
5I7A
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BU of 5i7a by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid]
Descriptor: 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Schnell, R, Maric, S, Schneider, G.
Deposit date:2016-02-17
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
1TLL
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BU of 1tll by Molmil
CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION.
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Garcin, E.D, Bruns, C.M, Lloyd, S.J, Hosfield, D.J, Tiso, M, Gachhui, R, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
Deposit date:2004-06-09
Release date:2004-08-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for isozyme-specific regulation of electron transfer in nitric-oxide synthase
J.Biol.Chem., 279, 2004

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